SCHEMBL7586930

SCHEMBL7586930

CC(=O)OCCn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.51
OPRM1 P35372 7/20 0.51
CYP3A4 P08684 5/20 0.48
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
OPRD1 P41143 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
CYP2D6 P10635 1/20 0.45
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCD Q05655 1/20 0.44
CCR5 P51681 1/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL8063089 0.88 OPRM1 (0.50) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL7596262 0.87 OPRM1 (0.49) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL6581954 0.86 OPRL1 (0.54) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL3098947 0.86 CYP2D6 (0.57) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL4703256 0.85 CACNA1G (0.52) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL27194852 0.84 CYP3A4 (0.53) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL8103415 0.83 OPRL1 (0.53) OPRL1OPRM1CACNA1GCACNA1HGPR119
SCHEMBL24709345 0.83 CACNA1G (0.66) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL30849340 0.83 CACNA1G (0.66) OPRL1OPRM1CYP3A4CACNA1GCACNA1H
SCHEMBL12919539 0.83 CYP3A4 (0.58) OPRL1OPRM1CYP3A4CACNA1GCACNA1H

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
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed