SCHEMBL10183973

SCHEMBL10183973

O=C1C(N(C(=O)COc2ccc(C(F)(F)F)nc2)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.38
▸ CPT1A P50416 2/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TPH1 P17752 1/20 0.32
▸ AGTR2 P50052 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
SCHEMBL10185587 0.88 TRPM8 (0.41) TRPM8CPT1ATACR1MEN1MAPT
SCHEMBL10183761 0.87 TRPM8 (0.42) TRPM8TACR1MEN1MAPTKMT2A
SCHEMBL10184008 0.87 PTGIR (0.38) TRPM8MAPTSMN1; SMN2OPRM1OPRK1
SCHEMBL10185604 0.86 CCKBR (0.36) MAPTOPRM1OPRK1OPRL1LMNA
SCHEMBL10183676 0.84 HCRTR1 (0.35) TRPM8TACR1MEN1MAPTKMT2A
SCHEMBL10184119 0.83 OPRM1 (0.37) TRPM8MAPTOPRM1OPRK1OPRL1
SCHEMBL10185551 0.83 NPC1 (0.37) TRPM8MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10183683 0.80 OPRM1 (0.35) TRPM8MAPTOPRM1OPRK1OPRL1
SCHEMBL10183299 0.80 OPRM1 (0.40) MAPTOPRM1OPRK1OPRL1LMNA
SCHEMBL10184148 0.80 C5AR1 (0.32) TRPM8MEN1KMT2AOPRM1OPRK1

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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