SCHEMBL10184045

SCHEMBL10184045

CCC(CC)N(C(=O)Cc1cccs1)C1C(=O)N(C2CCCCC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.42
▸ OPRK1 P41145 4/20 0.42
▸ OPRL1 P41146 4/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ YAP1 P46937 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
SCHEMBL10183656 0.80 SIGMAR1 (0.39) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10185945 0.79 OPRM1 (0.39) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10183670 0.78 TRPM8 (0.41) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10184154 0.78 POLB (0.39) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10183787 0.78 SIGMAR1 (0.37) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10184153 0.77 OPRM1 (0.39) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10183666 0.77 OPRM1 (0.39) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10185926 0.77 OPRM1 (0.39) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10183972 0.77 OPRM1 (0.36) OPRM1OPRK1OPRL1SIGMAR1NPSR1
SCHEMBL10185925 0.77 MEN1 (0.39) OPRM1OPRK1OPRL1SIGMAR1NPSR1

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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