SCHEMBL3690628

SCHEMBL3690628

NC(=O)c1ccc(Oc2cccc3c2CCN(Cc2ccncc2)C3)nc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.58
OPRD1 P41143 9/20 0.58
OPRK1 P41145 8/20 0.58
ABCB1 P08183 2/20 0.56
P2RY1 P47900 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACACB O00763 3/20 0.44

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
SCHEMBL3692086 0.93 OPRM1 (0.68) OPRM1OPRD1OPRK1ABCB1P2RY1
SCHEMBL3702090 0.91 OPRM1 (0.56) OPRM1OPRD1OPRK1ABCB1P2RY1
SCHEMBL3702368 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1ABCB1P2RY1
SCHEMBL3697430 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3697561 0.85 OPRM1 (0.70) OPRM1OPRD1OPRK1ABCB1MEN1
SCHEMBL3694172 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1ABCB1MEN1
SCHEMBL3698501 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1ABCB1P2RY1
SCHEMBL3690809 0.83 OPRM1 (0.69) OPRM1OPRD1OPRK1ABCB1P2RY1
SCHEMBL3699158 0.83 OPRM1 (0.52) OPRM1OPRD1OPRK1ABCB1P2RY1
SCHEMBL3694536 0.82 OPRM1 (0.62) 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