SCHEMBL9724730

SCHEMBL9724730

NC(=O)C(F)(F)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.53
CTRB1 P17538 2/20 0.51
CTSB P07858 2/20 0.49
CTSL P07711 2/20 0.47
TACR1 P25103 2/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
PLAU P00749 2/20 0.44
F2 P00734 1/20 0.44
PLAT P00750 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
SCHEMBL7321385 0.90 TRPM8 (0.55) TRPM8CTRB1CTSBCTSLTACR1
SCHEMBL7428630 0.90 TRPM8 (0.55) TRPM8CTRB1CTSBCTSLTACR1
SCHEMBL10431950 0.90 CTSL (0.47) TRPM8CTRB1CTSBCTSL
SCHEMBL5704587 0.87 TRPM8 (0.57) TRPM8CTRB1CTSBCTSLTACR1
SCHEMBL7294855 0.87 CTSK (0.52) CTSBCTSLCTSSCTSK
SCHEMBL7152790 0.86 TRPM8 (0.54) TRPM8CTRB1CTSBCTSLTACR1
SCHEMBL7320400 0.86 TRPM8 (0.54) TRPM8CTRB1CTSBCTSLTACR1
SCHEMBL7807979 0.85 TRPM8 (0.56) TRPM8CTRB1CTSBCTSLTACR1
SCHEMBL7268961 0.84 TRPM8 (0.54) TRPM8CTRB1CTSBCTSLTACR1
SCHEMBL7335755 0.83 TRPM8 (0.53) TRPM8CTRB1CTSBCTSLTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114927-A Hypotensive agents and inhibiting renin MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-19 US disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed