SCHEMBL9809676

SCHEMBL9809676

COc1ccc(CCN(C)CCCNC(=O)c2cccc(OC)c2O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.58
TMEM97 Q5BJF2 3/20 0.58
SIGMAR1 Q99720 3/20 0.58
OPRK1 P41145 1/20 0.56
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
APP P05067 3/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.52
SMPD1 P17405 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL9809681 0.92 OPRM1 (0.56) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9809657 0.90 OPRM1 (0.61) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9809684 0.84 MAPT (0.54) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9809660 0.84 OPRM1 (0.54) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9809664 0.84 MAPT (0.54) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9809729 0.83 ALDH1A1 (0.61) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9809635 0.83 GAA (0.53) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9690990 0.82 OPRM1 (0.57) OPRM1TMEM97SIGMAR1OPRK1CYP3A4
SCHEMBL9809723 0.79 APP (0.65) TMEM97SIGMAR1OPRK1APP
SCHEMBL9149357 0.78 HTR1A (0.58) OPRM1TMEM97SIGMAR1OPRK1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071850-A Cardiovascular disorders PIERRE FABRE MEDICAMENT (FR) 1991-12-10 US disclosed