SCHEMBL7699731

SCHEMBL7699731

CS(=O)(=O)c1ccc(C2c3ccccc3CCN2C=CC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.42
SLC9A3 P48764 2/20 0.37
HHAT Q5VTY9 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM3 P20309 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
SCHEMBL7702363 0.88 PRCP (0.40) PRCPHHAT
SCHEMBL7702539 0.85 PRCP (0.46) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7701133 0.85 PRCP (0.54) PRCPHHATCYP2D6CHRM3
SCHEMBL7704956 0.83 CHRM3 (0.47) PRCPHHATCHRM3
SCHEMBL7697839 0.82 PRCP (0.43) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7697965 0.82 PRCP (0.43) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7699278 0.82 HDAC1 (0.51) PRCP
SCHEMBL7698116 0.81 TRPM8 (0.45) PRCPHHATTRPM8CYP2D6
SCHEMBL7705576 0.80 PRCP (0.41) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7705610 0.80 TRPM8 (0.53) TRPM8

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-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed