SCHEMBL9506165

SCHEMBL9506165

Nc1cccc(COCC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
MCHR1 Q99705 2/20 0.39
CYP19A1 P11511 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38

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
SCHEMBL10418854 0.84 CCNA2 (0.38)
SCHEMBL14394308 0.81 CCNB2 (0.42) OPRM1OPRD1OPRK1
SCHEMBL2701945 0.80 CTSL (0.53)
SCHEMBL29951790 0.79 ENPP2 (0.47) OPRM1OPRD1OPRK1
SCHEMBL16399052 0.79 TSHR (0.47) MAOBMAOA
SCHEMBL15498215 0.79 MAOB (0.35) MAOBMAOACYP19A1
SCHEMBL10347651 0.78 MAOA (0.46) MAOBMAOACYP19A1OPRM1OPRD1
Hydrochloric Acid SCHEMBL30384626 0.78 CTSL (0.51)
SCHEMBL4677170 0.78 TSHR (0.54)
SCHEMBL14261334 0.78 TACR1 (0.45) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP claimed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US claimed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP claimed
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP disclosed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US disclosed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP disclosed