SCHEMBL9160628

SCHEMBL9160628

COc1ccc(CCN(C)CCCCNC(=O)C/C=C/c2ccc(-n3ccnc3)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
DRD3 P35462 4/20 0.37
DRD2 P14416 3/20 0.37
USP2 O75604 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
TBXAS1 P24557 2/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDE5A O76074 1/20 0.35
NOS2 P35228 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL9233122 0.93 OPRM1 (0.42) MAOBOPRM1TMEM97SIGMAR1NOS2
SCHEMBL9160192 0.92 CYP3A4 (0.38) MAOBDRD3DRD2OPRM1TMEM97
SCHEMBL9159994 0.92 MAOB (0.40) MAOBTBXAS1SIGMAR1
SCHEMBL8828195 0.91 OPRM1 (0.44) MAOBOPRM1TMEM97SIGMAR1NOS2
SCHEMBL9160871 0.89 CCR3 (0.36) DRD3DRD2OPRM1TMEM97SIGMAR1
SCHEMBL9231352 0.88 DRD3 (0.45) MAOBDRD3DRD2TBXAS1MAPK8
SCHEMBL9159739 0.88 MAOB (0.42) MAOBTBXAS1TMEM97SIGMAR1
SCHEMBL9158719 0.87 DRD3 (0.46) DRD3DRD2
SCHEMBL9155730 0.87 DRD3 (0.42) MAOBDRD3DRD2MAPK8MAPK10
SCHEMBL8828419 0.86 MAOB (0.38) MAOBDRD3DRD2OPRM1TMEM97

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
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed