SCHEMBL8828252

SCHEMBL8828252

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
OPRM1 P35372 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMPD1 P17405 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL8828131 0.92 CYP3A4 (0.52) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL9209058 0.92 OPRM1 (0.47) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL8828235 0.92 MAPT (0.56) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL8828147 0.92 MAPT (0.56) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL8828188 0.91 LMNA (0.49) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL8828274 0.91 OPRM1 (0.49) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL8828423 0.90 MAPT (0.53) MAPTALDH1A1OPRM1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL8828196 0.90 BLM (0.49) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL8828316 0.89 OPRM1 (0.47) MAPTALDH1A1OPRM1TMEM97SIGMAR1
SCHEMBL8828204 0.88 OPRM1 (0.47) MAPTALDH1A1OPRM1TMEM97SIGMAR1

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
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US 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
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed