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SCHEMBL5694566

SCHEMBL5694566

c1ccc(P(c2ccccc2)C2(P(c3ccccc3)c3ccccc3)CCNC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.48
▸ OPRM1 P35372 1/20 0.42
▸ SLC6A2 P23975 5/20 0.39
▸ SLC6A4 P31645 5/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ TSHR P16473 4/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CYP2D6 P10635 9/20 0.35
▸ USP2 O75604 6/20 0.35
▸ CYP3A4 P08684 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL1559970 0.74 CYP3A4 (0.45) OPRM1CYP2D6CYP3A4CYP2C9TDP1
SCHEMBL1559842 0.70 CYP3A4 (0.41) SLC6A2SLC6A4CYP3A4SLC6A3TDP1
SCHEMBL1559552 0.70 CYP3A4 (0.41) OPRM1CYP3A4TDP1
SCHEMBL1559812 0.69 CYP3A4 (0.39) OPRM1SLC6A2SLC6A4CYP3A4SLC6A3
SCHEMBL7922206 0.65 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL2313435 0.65 HTR2A (1.00) HTR2AOPRM1SLC6A2SLC6A4DRD2
SCHEMBL15657900 0.65 HDAC4 (0.36) OPRM1SLC6A2SLC6A4CYP3A4SLC6A3
Hydrochloric Acid SCHEMBL3695425 0.64 HTR2A (0.96) HTR2AOPRM1SLC6A2SLC6A4DRD2
SCHEMBL15660290 0.64 CYP3A4 (0.35) OPRM1SLC6A2SLC6A4CYP3A4SLC6A3
SCHEMBL1205790 0.62 HTR2A (0.59) HTR2AOPRM1SLC6A2SLC6A4DRD2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107880075-A Rhodium catalyst and the method for preparing amines 武田药品工业株式会社 2018-04-06 — — CN disclosed
CN-104321330-B Rhodium catalyst and process for producing amine compound 武田药品工业株式会社 2017-12-08 — — CN disclosed
EP-1685092-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-08-02 — — EP disclosed
EP-1656342-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-05-17 — — EP disclosed
WO-2005028419-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-03-31 — — WO disclosed
WO-2005016866-A2 PROCESS FOR PRODUCING OPTICALLY ACTIIVE BETA-AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-24 — — WO disclosed
EP-1453788-A1 SUBSTITUTED HYDROXYETHYLAMINES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP disclosed
EP-1395551-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES Elan Pharmaceuticals, Inc. (US) 2004-03-10 — — EP disclosed
EP-1381597-A2 PROCESSES AND INTERMEDIATES FOR PREPARING BENZYL SUBSTITUTED EPOXIDES Elan Pharmaceuticals, Inc. (US) 2004-01-21 — — EP disclosed
WO-2003050073-A1 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-06-19 — — WO disclosed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO disclosed
WO-2002085877-A2 PROCESSES AND INTERMEDIATES FOR PREPARING BENZYL SUBSTITUTED EPOXIDES ELAN PHARMACEUTICALS, INC. (US) 2002-10-31 — — WO disclosed