SCHEMBL2829900

SCHEMBL2829900

CNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(C)cc12

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.80
OGFRL1 Q5TC84 15/20 0.80
OPRL1 P41146 6/20 0.57
OPRD1 P41143 3/20 0.57
OPRK1 P41145 3/20 0.57
SIRT1 Q96EB6 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38

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
Lexanopadol SCHEMBL29930643 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL381022 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL566686 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL566559 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL380515 0.88 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681581 0.87 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL16153874 0.85 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL682578 0.84 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL19525879 0.81 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL13805851 0.78 OPRM1 (0.73) OPRM1OGFRL1OPRL1OPRD1OPRK1

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
EP-2233487-A1 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2010-09-29 EP disclosed