Aripiprazole

Aripiprazole

SCHEMBL982189

O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1.O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DRD2HTR1AHTR2A

The experimentally established mechanism targets of Aripiprazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 20/20 1.00
HTR1A known ✓ P08908 3/20 1.00
HTR2A known ✓ P28223 3/20 1.00
DRD3 P35462 5/20 1.00
DRD4 P21917 4/20 1.00
HTR2B P41595 3/20 1.00
DRD1 P21728 2/20 1.00
DRD5 P21918 2/20 1.00
HTR2C P28335 2/20 1.00
HTR7 P34969 2/20 1.00
HTR6 P50406 2/20 1.00
HTR3E A5X5Y0 1/20 1.00
MEN1 O00255 1/20 1.00
MLNR O43193 1/20 1.00
HTR3B O95264 1/20 1.00
ABCB11 O95342 1/20 1.00
ESR1 P03372 1/20 1.00
PGR P06401 1/20 1.00
ADRB2 P07550 1/20 1.00
CHRM2 P08172 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Aripiprazole SCHEMBL29356997 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL8255 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL29475637 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL29475638 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL29438823 1.00 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL7097505 0.99 DRD2 (0.98) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL236666 0.99 DRD2 (0.98) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL5147095 0.99 DRD2 (0.98) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL30958766 0.99 DRD2 (0.98) DRD2DRD3DRD4HTR1AHTR2A
Aripiprazole SCHEMBL31174198 0.99 DRD2 (0.98) DRD2DRD3DRD4HTR1AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102292094-A Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical 2011-12-21 CN claimed
EP-1145711-A1 Flash-melt oral dosage formulation BRISTOL-MYERS SQUIBB COMPANY (US) 2001-10-17 EP claimed
CN-112451477-B Pharmaceutical composition comprising sorbitan esters 奥克梅斯制药爱尔兰有限公司 2022-12-30 CN disclosed
CN-112451477-A Pharmaceutical compositions comprising sorbitan esters 奥克梅斯制药爱尔兰有限公司 2021-03-09 CN disclosed
CN-107252414-B Pharmaceutical compositions comprising sorbitan esters 奥克梅斯制药爱尔兰有限公司 2020-11-24 CN disclosed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
US-20150150868-A1 ARIPIPRAZOLE-ORGANIC ACID COCRYSTAL, PREPARATION OR COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR GCB CO., LTD (KR) 2015-06-04 US disclosed
CN-102008450-B Drug-cyclodextrin nanoparticles and preparation method thereof HANGZHOU AIRUISHA BIOLOG MEDICINE TECHNOLOGY CO LTD 2013-01-30 CN disclosed
CN-102008450-A Drug-cyclodextrin nanoparticles and preparation method thereof LUWEI ZHAO 2011-04-13 CN disclosed
US-7872132-B2 Intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-18 US disclosed
EP-1725237-A4 METHODS FOR TREATING ALCOHOLISM ALKERMES INC (US) 2008-08-27 EP disclosed
EP-1812395-B1 METHOD FOR THE PREPARATION OF ARIPIPRAZOLE, AND CORRESPONDING INTERMEDIATES AND THEIR PREPARATION SUVEN LIFE SCIENCES LTD (IN) 2008-05-21 EP disclosed
EP-1758600-A4 METHODS AND COMPOSITIONS FOR TREATING MOOD DISORDER MOOD MAN SCIENCES LLC (US) 2008-03-05 EP disclosed
EP-1812395-A1 METHOD FOR THE PREPARATION OF ARIPIPRAZOLE, AND CORRESPONDING INTERMEDIATES AND THEIR PREPARATION Suven Life Sciences Limited (IN) 2007-08-01 EP disclosed
EP-1758600-A1 METHODS AND COMPOSITIONS FOR TREATING MOOD DISORDER Mood Management Sciences, LLC (US) 2007-03-07 EP disclosed
EP-1725237-A2 METHODS FOR TREATING ALCOHOLISM Alkermes Controlled Therapeutic, II (US) 2006-11-29 EP disclosed
WO-2006038220-A1 NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF ARIPIPRAZOLE AND METHODS FOR THE PREPARATION OF THE NOVEL INTERMEDIATES AND ARIPIPRAZOLE SUVEN LIFE SCIENCES LIMITED (IN) 2006-04-13 WO disclosed
WO-2005120523-A1 METHODS AND COMPOSITIONS FOR TREATING MOOD DISORDER MOOD MANAGEMENT SCIENCES, LLC (US) 2005-12-22 WO disclosed
WO-2005089486-A2 METHODS FOR TREATING ALCOHOLISM ALKERMES CONTROLLED THERAPEUTIC, II (US) 2005-09-29 WO disclosed