SCHEMBL5704657

SCHEMBL5704657

O=C(N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)C(F)(F)F)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.51
PPARA Q07869 2/20 0.49
CTRB1 P17538 2/20 0.49
TP53 P04637 1/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 2/20 0.46
SPPL2A Q8TCT8 1/20 0.45
TACR1 P25103 2/20 0.45
CCR1 P32246 2/20 0.45
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL5704587 0.93 TRPM8 (0.57) TRPM8CTRB1CTSBCTSKTACR1
SCHEMBL5704586 0.87 LTA4H (0.53) TRPM8PPARACTRB1
SCHEMBL11422143 0.85 PPARA (0.56) TRPM8PPARACTRB1TP53CTSB
SCHEMBL6282998 0.84 CTSB (0.56) TRPM8CTRB1CTSBCTSKTACR1
SCHEMBL7428630 0.83 TRPM8 (0.55) TRPM8CTRB1CTSBCTSKTACR1
SCHEMBL7321385 0.83 TRPM8 (0.55) TRPM8CTRB1CTSBCTSKTACR1
SCHEMBL7268961 0.82 TRPM8 (0.54) TRPM8CTRB1CTSBCTSKTACR1
SCHEMBL9724730 0.81 TRPM8 (0.53) TRPM8CTRB1CTSBCTSKTACR1
SCHEMBL7335755 0.81 TRPM8 (0.53) TRPM8CTRB1CTSBCTSKTACR1
SCHEMBL7807953 0.81 CTSD (0.63) TRPM8CTSBCTSKCTSLCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1243576-B1 PROCESSES FOR PRODUCING (AMINOMETHYL)TRIFLUOROMETHYLCARBINOL DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2006-10-11 EP disclosed
US-6646150-B1 Reacting 1,3-oxazolidin-5-one derivative with trialkyl-(trifluoromethyl)silane; removing trialkylsilyl group; reductive decyclization DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-11 US disclosed
EP-1243576-A1 PROCESSES FOR PRODUCING (AMINOMETHYL)TRIFLUOROCARBINOL DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-25 EP disclosed