SCHEMBL10185587

SCHEMBL10185587

O=C1C(N(C(=O)COc2ccc(F)cc2)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ CCKAR P32238 2/20 0.36
▸ CCKBR P32239 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TACR1 P25103 1/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL10183761 0.94 TRPM8 (0.42) TRPM8ALDH1A1KMT2AMEN1OPRM1
SCHEMBL10184008 0.89 PTGIR (0.38) TRPM8ALDH1A1OPRM1OPRK1OPRL1
SCHEMBL10183973 0.88 TRPM8 (0.38) TRPM8ALDH1A1GAAKMT2AMEN1
SCHEMBL10183638 0.88 OPRM1 (0.35) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10184119 0.88 OPRM1 (0.37) TRPM8GAAOPRM1OPRK1OPRL1
SCHEMBL10185551 0.87 NPC1 (0.37) TRPM8ALDH1A1GAAKMT2AMEN1
SCHEMBL10183299 0.86 OPRM1 (0.40) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10183337 0.86 OPRM1 (0.39) KMT2AMEN1OPRM1OPRK1OPRL1
SCHEMBL10183319 0.86 MEN1 (0.43) ALDH1A1KMT2AMEN1OPRM1OPRK1
SCHEMBL10183683 0.85 OPRM1 (0.35) TRPM8OPRM1OPRK1OPRL1CCKAR

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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