SCHEMBL7702996

SCHEMBL7702996

Cc1ccc(C2c3ccccc3CCN2C=CC=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.39
PRCP P42785 3/20 0.39
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
HHAT Q5VTY9 2/20 0.33
SLC18A3 Q16572 1/20 0.33
CHRM3 P20309 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7700015 0.86 TRPM8 (0.39) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7701032 0.86 HPGD (0.37) TRPM8PRCPCHRM3
SCHEMBL7704900 0.86 TRPM8 (0.37) TRPM8PRCPKCNH2HHATCHRM3
SCHEMBL7701159 0.86 TRPM8 (0.39) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7702539 0.84 PRCP (0.46) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7705909 0.84 CYP19A1 (0.44) TRPM8PRCPHDAC8
SCHEMBL7701133 0.81 PRCP (0.54) PRCPKCNH2HHATCHRM3HDAC1
SCHEMBL7699769 0.81 PRCP (0.37) TRPM8PRCPKCNH2HHATCHRM3
SCHEMBL7703888 0.81 PRCP (0.39) TRPM8PRCPHHATCHRM3HDAC1
SCHEMBL7700053 0.80 TRPM8 (0.35) TRPM8PRCPHHATCHRM3HDAC1

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