SCHEMBL10185933

SCHEMBL10185933

O=C1C(N(C(=O)COCc2ccncc2)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.40
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ F10 P00742 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PTGIR P43119 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ PTGDR Q13258 1/20 0.32

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
SCHEMBL10183638 0.93 OPRM1 (0.35) GRM5OPRM1OPRK1OPRL1PTGIR
SCHEMBL10185558 0.88 NPC1 (0.36) GRM5KMT2AOPRM1OPRK1OPRL1
SCHEMBL10185907 0.87 OPRM1 (0.35) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL10184148 0.87 C5AR1 (0.32) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL10184119 0.84 OPRM1 (0.37) OPRM1OPRK1OPRL1PTGIRAGTR2
SCHEMBL10185551 0.84 NPC1 (0.37) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL10183674 0.84 OPRM1 (0.34) OPRM1OPRK1OPRL1PTGIRAGTR2
SCHEMBL10184008 0.83 PTGIR (0.38) OPRM1OPRK1OPRL1USP2KDM4E
SCHEMBL10183761 0.83 TRPM8 (0.42) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL10183299 0.83 OPRM1 (0.40) OPRM1OPRK1OPRL1PTGIRAGTR2

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
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
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