SCHEMBL1637914

SCHEMBL1637914

c1ccc(C2(c3ccccc3)CN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
NPY5R Q15761 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MAOB P27338 5/20 0.37
MAOA P21397 4/20 0.37
PNMT P11086 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL5198608 0.83 HTR2A (0.42) HTR2ANPY5ROPRM1OPRK1OPRL1
SCHEMBL11880368 0.81 HTR2A (0.50) HTR2ANPY5ROPRM1OPRK1OPRL1
SCHEMBL4780555 0.78 OPRM1 (0.50) HTR2ANPY5ROPRM1OPRK1OPRL1
SCHEMBL1959361 0.78 HTR2A (0.47) HTR2ANPY5ROPRM1
SCHEMBL18923920 0.74 MAOB (0.46) HTR2AOPRM1MAOBMAOA
Methyl Alcohol SCHEMBL8520431 0.72 OPRM1 (0.45) HTR2ANPY5ROPRM1OPRK1OPRL1
SCHEMBL6071368 0.72 OPRM1 (0.45) HTR2ANPY5ROPRM1OPRK1OPRL1
SCHEMBL1071202 0.72 HTR2A (0.41) HTR2AOPRM1OPRK1OPRL1
SCHEMBL28490121 0.71 TSHR (0.52)
SCHEMBL29090570 0.71 NPY5R (0.36) HTR2ANPY5ROPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956241-A CHROMIUM(III) CHELATE COMPOUND AEROJET-GENERAL CORPORATION (US) 1976-05-11 US claimed
CN-103903046-B Transponder and its manufacture method for object identification 奥普托塞斯股份有限公司 2018-02-23 CN disclosed
CN-103795389-B Proximity transducer 奥普托塞斯股份有限公司 2018-02-06 CN disclosed
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed
CN-1610062-A Alloy type semiconductor nanocrystals and method for preparing the same SAMSUNG ELECTRONICS CO LTD (KR) 2005-04-27 CN disclosed
EP-1227883-A1 CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSM N.V. (NL) 2002-08-07 EP disclosed
WO-2001023088-A1 CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSM N.V. (NL) 2001-04-05 WO disclosed
US-3953391-A ALKYLENEIMINE-MODIFIED ACRYLIC COPOLYMERSACID PPG INDUSTRIES, INC. (US) 1976-04-27 US disclosed