SCHEMBL16673308

SCHEMBL16673308

Cc1c(C2(c3cccs3)CCC(c3cccc(F)c3)(N(C)C)CC2)[nH]c2ccccc12.O=C(O)OCC(O)(COC(=O)O)OC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.54
OPRL1 P41146 11/20 0.54
OGFRL1 Q5TC84 9/20 0.42
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL1120041 0.85 OPRM1 (0.66) OPRM1OPRL1OGFRL1OPRD1OPRK1
Citric Acid SCHEMBL2198497 0.85 OPRM1 (0.54) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL1119615 0.78 OPRM1 (0.70) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3407050 0.73 OPRM1 (0.80) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3411311 0.71 OPRM1 (0.74) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL15642831 0.69 OPRM1 (0.74) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3406064 0.68 OPRM1 (1.00) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3413563 0.68 OPRM1 (0.80) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL1119618 0.67 OPRM1 (0.48) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL1119831 0.67 OPRM1 (0.86) OPRM1OPRL1OGFRL1OPRD1OPRK1

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-2280941-B1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2015-05-06 EP disclosed