SCHEMBL8828550

SCHEMBL8828550

COc1ccc(CCN(C)CCCNC(=O)C/C=C/c2cccc(F)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.49
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
OPRK1 P41145 1/20 0.44
MAPT P10636 2/20 0.44
SMPD1 P17405 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PTGS1 P23219 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL8828362 0.91 LMNA (0.59) OPRM1TMEM97SIGMAR1HPGDLMNA
SCHEMBL8828274 0.90 OPRM1 (0.49) OPRM1TMEM97SIGMAR1HPGDCYP3A4
SCHEMBL8828131 0.90 CYP3A4 (0.52) OPRM1TMEM97SIGMAR1HPGDCYP3A4
Hydrochloric Acid SCHEMBL8828196 0.89 BLM (0.49) OPRM1TMEM97SIGMAR1CYP3A4CYP1A2
SCHEMBL8828272 0.89 OPRM1 (0.47) OPRM1TMEM97SIGMAR1HPGDCYP3A4
SCHEMBL8828561 0.88 LMNA (0.61) OPRM1TMEM97SIGMAR1HPGDLMNA
SCHEMBL8828332 0.87 OPRM1 (0.47) OPRM1TMEM97SIGMAR1HPGDLMNA
SCHEMBL8828267 0.86 OPRM1 (0.51) OPRM1TMEM97SIGMAR1HPGDLMNA
SCHEMBL8828147 0.85 MAPT (0.56) OPRM1TMEM97SIGMAR1HPGDLMNA
SCHEMBL8828322 0.85 ALDH1A1 (0.56) OPRM1TMEM97SIGMAR1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650270-A DETECTABLE SIGNALS FOR LABELS AND ANALYZING NORTHEASTERN UNIVERSITY (US) 1997-07-22 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