SCHEMBL10185945

SCHEMBL10185945

Cc1cccc(N(C(=O)Cc2cccs2)C2C(=O)N(C3CCCCC3)c3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CCKAR P32238 2/20 0.35
▸ CCKBR P32239 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL10184154 0.90 POLB (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10184153 0.90 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183666 0.90 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185926 0.90 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185925 0.88 MEN1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185544 0.87 OPRM1 (0.40) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183727 0.86 ALDH1A1 (0.41) OPRM1OPRK1OPRD1POLBOPRL1
SCHEMBL10183731 0.86 USP2 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185950 0.86 SMN1; SMN2 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183972 0.84 OPRM1 (0.36) OPRM1OPRK1OPRD1SIGMAR1POLB

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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