SCHEMBL3698655

SCHEMBL3698655

CCCCCCN1CCc2c(cccc2Oc2ccc(C(N)=O)cn2)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.63
OPRD1 P41143 16/20 0.63
OPRK1 P41145 15/20 0.63
S1PR5 Q9H228 1/20 0.51
ABCB1 P08183 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3694396 0.99 OPRM1 (0.63) OPRM1OPRD1OPRK1S1PR5ABCB1
SCHEMBL3694536 0.96 OPRM1 (0.62) OPRM1OPRD1OPRK1S1PR5ABCB1
SCHEMBL3698501 0.93 OPRM1 (0.57) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3694122 0.92 OPRM1 (0.63) OPRM1OPRD1OPRK1S1PR5ABCB1
SCHEMBL3693672 0.86 OPRM1 (0.70) OPRM1OPRD1OPRK1S1PR5
SCHEMBL3697396 0.86 OPRM1 (0.63) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3690809 0.84 OPRM1 (0.69) OPRM1OPRD1OPRK1S1PR5ABCB1
SCHEMBL3699158 0.84 OPRM1 (0.52) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3692086 0.82 OPRM1 (0.68) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3690628 0.81 OPRM1 (0.58) OPRM1OPRD1OPRK1ABCB1

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-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed