SCHEMBL7701159

SCHEMBL7701159

CSc1ccc(C2c3ccccc3CCN2C=CC=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.39
PRCP P42785 3/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HHAT Q5VTY9 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CHRM3 P20309 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL7702996 0.86 TRPM8 (0.39) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7701032 0.84 HPGD (0.37) TRPM8PRCPALDH1A1HPGDCHRM3
SCHEMBL7700015 0.84 TRPM8 (0.39) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7697965 0.83 PRCP (0.43) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7704900 0.83 TRPM8 (0.37) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7702539 0.79 PRCP (0.46) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7701133 0.79 PRCP (0.54) PRCPHHATCHRM3HDAC1HDAC2
SCHEMBL7699769 0.79 PRCP (0.37) TRPM8PRCPHHATADRA1DADRA1A
SCHEMBL7705909 0.79 CYP19A1 (0.44) TRPM8PRCPKDM4EHPGDHDAC8
SCHEMBL7703888 0.78 PRCP (0.39) TRPM8PRCPHHATADRA1DADRA1A

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