SCHEMBL9682613

SCHEMBL9682613

CC(c1ccccc1)N1CCC1CCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 2/20 0.44
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.40
MC4R P32245 1/20 0.40
HTR1A P08908 2/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 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
SCHEMBL9682491 0.91 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9683882 0.87 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9682023 0.84 ALDH1A1 (0.47) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23532884 0.78 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19078534 0.78 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23532886 0.78 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL17130331 0.77 CYP2D6 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL17114344 0.77 KDM4E (0.46) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL18729768 0.77 CYP2D6 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL17114345 0.77 KDM4E (0.46) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed