SCHEMBL3702368

SCHEMBL3702368

NC(=O)c1ccc(Oc2cccc3c2CCN(Cc2ccccn2)C3)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.53
OPRD1 P41143 13/20 0.53
OPRK1 P41145 11/20 0.53
P2RY1 P47900 1/20 0.50
ABCB1 P08183 1/20 0.49
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.41

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 0.88 OPRM1 (0.68) OPRM1OPRD1OPRK1P2RY1ABCB1
SCHEMBL3690628 0.86 OPRM1 (0.58) OPRM1OPRD1OPRK1P2RY1ABCB1
SCHEMBL3702090 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1P2RY1ABCB1
SCHEMBL3699158 0.84 OPRM1 (0.52) OPRM1OPRD1OPRK1P2RY1ABCB1
SCHEMBL3694172 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1ABCB1MEN1
SCHEMBL3698501 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1P2RY1ABCB1
SCHEMBL3697430 0.83 OPRM1 (0.50) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3690809 0.83 OPRM1 (0.69) OPRM1OPRD1OPRK1P2RY1ABCB1
SCHEMBL3694536 0.81 OPRM1 (0.62) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3693672 0.81 OPRM1 (0.70) OPRM1OPRD1OPRK1

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