SCHEMBL10183666

SCHEMBL10183666

O=C1C(N(C(=O)Cc2cccs2)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.39
▸ OPRK1 P41145 5/20 0.39
▸ OPRD1 P41143 3/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ OPRL1 P41146 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AGTR2 P50052 1/20 0.34

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
SCHEMBL10185926 1.00 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185544 0.97 OPRM1 (0.40) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183767 0.92 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10184153 0.90 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185945 0.90 OPRM1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10184154 0.88 POLB (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL18074198 0.88 SIGMAR1 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183904 0.87 OPRM1 (0.38) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10183731 0.86 USP2 (0.39) OPRM1OPRK1OPRD1SIGMAR1POLB
SCHEMBL10185950 0.86 SMN1; SMN2 (0.39) 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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