SCHEMBL1044897

SCHEMBL1044897

[CH2]CCc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.63
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
SLC6A3 Q01959 2/20 0.52
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
MAOB P27338 4/20 0.46
DAO P14920 2/20 0.46
MIF P14174 1/20 0.46

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
SCHEMBL27548737 0.88 TAAR1 (0.52) TAAR1IDO1AGXTSLC6A3DRD2
SCHEMBL900638 0.87 TAAR1 (0.59) TAAR1IDO1AGXTSLC6A3DRD2
SCHEMBL3371633 0.85 TAAR1 (0.74) TAAR1IDO1AGXTSLC6A3DRD2
SCHEMBL9431981 0.85 TAAR1 (0.57) TAAR1IDO1AGXTSLC6A3DRD2
SCHEMBL1046626 0.84 TAAR1 (0.55) TAAR1IDO1AGXTSLC6A3DRD2
SCHEMBL95076 0.81
SCHEMBL144864 0.79 TAAR1 (0.72) TAAR1IDO1AGXTSLC6A3DRD2
SCHEMBL8591746 0.79 TAAR1 (0.65) TAAR1IDO1AGXTSLC6A3DRD2
SCHEMBL27550304 0.78 AGXT (0.62) TAAR1AGXTDRD2MAOB
SCHEMBL27900192 0.78 TAAR1 (0.69) TAAR1AGXTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115469039-B Butylphthalide and detection method of related substances thereof 成都施贝康生物医药科技有限公司 2024-04-26 CN claimed
CN-115453014-B Detection method of butylphthalide and related substances thereof 成都施贝康生物医药科技有限公司 2024-04-19 CN claimed
CN-115469039-A Butylphthalide and related substance detection method thereof 成都施贝康生物医药科技有限公司 2022-12-13 CN claimed
CN-115453014-A Detection method of butylphthalide and related substances thereof 成都施贝康生物医药科技有限公司 2022-12-09 CN claimed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN claimed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP claimed
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 CN claimed
CN-104844525-A Preparation method of rosuvastatin calcium impurity JINGDEZHEN FUXIANG PHARMACEUTICAL CO LTD 2015-08-19 CN claimed
CN-103459382-A Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC 2013-12-18 CN claimed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 CN claimed
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP claimed
JP-2001506231-A 2001-05-15 JP claimed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP claimed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO claimed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO claimed
EP-0959882-A1 N-LINKED UREAS AND CARBAMATES OF HETEROCYCLIC THIOESTERS GUILFORD PHARMACEUTICALS INC. (US) 1999-12-01 EP claimed
US-5990131-A OF GIVEN FORMULA WHICH HAVE A HIGH AFFINITY FOR FKBPS (FK506 BINDING PROTEINS, A CLASS OF IMMUNOPHILINS) ARE POTENT ROTAMASE INHIBITORS AND EXHIBIT EXCELLENT NEUROTROPHIC EFFECTS; NO IMMUNOSUPPRESSIVE ACTIVITY GPI NIL HOLDINGS INC. (US) 1999-11-23 US claimed
EP-0934263-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP claimed
WO-1998029117-A1 N-LINKED UREAS AND CARBAMATES OF HETEROCYCLIC THIOESTERS GUILFORD PHARMACEUTICALS INC. (US) 1998-07-09 WO claimed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed