SCHEMBL10184155

SCHEMBL10184155

C=CC1=C(C)N(C2CCCCC2)C(=O)C1N(C(=O)Cc1cccs1)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ TRPM8 Q7Z2W7 3/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL10185637 0.81 SIGMAR1 (0.37) SIGMAR1TRPM8ALDH1A1MEN1KMT2A
SCHEMBL10185945 0.73 OPRM1 (0.39) SIGMAR1TRPM8OPRM1OPRD1OPRK1
SCHEMBL10185925 0.72 MEN1 (0.39) SIGMAR1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL18074198 0.70 SIGMAR1 (0.39) SIGMAR1OPRM1OPRD1OPRK1POLB
SCHEMBL10185950 0.69 SMN1; SMN2 (0.39) SIGMAR1TRPM8OPRM1OPRD1OPRK1
SCHEMBL10183731 0.69 USP2 (0.39) SIGMAR1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL10183656 0.69 SIGMAR1 (0.39) SIGMAR1TRPM8OPRM1OPRD1OPRK1
SCHEMBL10184154 0.69 POLB (0.39) SIGMAR1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL10184153 0.68 OPRM1 (0.39) SIGMAR1OPRM1OPRD1OPRK1POLB
SCHEMBL10185926 0.68 OPRM1 (0.39) SIGMAR1OPRM1OPRD1OPRK1ALDH1A1

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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