SCHEMBL9160192

SCHEMBL9160192

COc1ccc(CCN(C)CCCCNC(=O)C/C=C/c2ccc(-n3ccnc3)cc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
MAOB P27338 2/20 0.38
DRD3 P35462 4/20 0.37
DRD2 P14416 3/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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 0.94 OPRM1 (0.42) CYP3A4MAOBMAPTGAAOPRM1
SCHEMBL9278700 0.93 MAOB (0.39) CYP3A4MAOBDRD3DRD2MAPT
SCHEMBL9160628 0.92 MAOB (0.38) MAOBDRD3DRD2OPRM1TMEM97
SCHEMBL8828195 0.92 OPRM1 (0.44) CYP3A4MAOBMAPTGAAOPRM1
SCHEMBL9160168 0.89 CYP3A4 (0.40) CYP3A4MAPTGAATHRBOPRM1
SCHEMBL9231352 0.88 DRD3 (0.45) CYP3A4MAOBDRD3DRD2GAA
SCHEMBL9158719 0.88 DRD3 (0.46) DRD3DRD2KDM4E
SCHEMBL9155730 0.88 DRD3 (0.42) MAOBDRD3DRD2GAA
SCHEMBL9156723 0.88 MAOB (0.46) CYP3A4MAOBDRD3DRD2MAPT
SCHEMBL8828419 0.87 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP claimed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP claimed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP claimed
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