SCHEMBL8828140

SCHEMBL8828140

COc1ccc(CCN(C)CCCNC(=O)C/C=C/c2ccc(-c3cscn3)cc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 6/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8828221 0.87 OPRM1 (0.48) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828122 0.87 OPRM1 (0.46) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828242 0.87 OPRM1 (0.49) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL9044237 0.86 OPRM1 (0.44) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828131 0.85 CYP3A4 (0.52) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828235 0.84 MAPT (0.56) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828147 0.84 MAPT (0.56) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828173 0.84 SMN1; SMN2 (0.50) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828274 0.83 OPRM1 (0.49) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL8828188 0.83 LMNA (0.49) OPRM1TMEM97SIGMAR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP claimed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP claimed
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed