SCHEMBL10183314

SCHEMBL10183314

O=C(Cc1cccs1)N(c1cccc(F)c1)C1C(=O)N(C2CC3CCC2C3)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ OPRD1 P41143 3/20 0.37
▸ OPRK1 P41145 3/20 0.37
▸ POLB P06746 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PKM P14618 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
SCHEMBL10185544 0.85 OPRM1 (0.40) OPRM1OPRD1OPRK1POLBMAPK1
SCHEMBL10183666 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1POLBMAPK1
SCHEMBL10185926 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1POLBMAPK1
SCHEMBL10183767 0.84 OPRM1 (0.39) OPRM1OPRD1OPRK1POLBMAPK1
SCHEMBL10183904 0.78 OPRM1 (0.38) HPGDOPRM1OPRD1OPRK1POLB
SCHEMBL10183975 0.78 POLB (0.37) HPGDOPRM1OPRD1OPRK1POLB
SCHEMBL10184095 0.77 TP53 (0.41) OPRM1OPRD1OPRK1
SCHEMBL10184153 0.75 OPRM1 (0.39) HPGDOPRM1OPRD1OPRK1POLB
SCHEMBL10185945 0.75 OPRM1 (0.39) CCKBROPRM1OPRD1OPRK1POLB
SCHEMBL10184154 0.74 POLB (0.39) CCKBROPRM1OPRD1OPRK1POLB

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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