SCHEMBL7697965

SCHEMBL7697965

CSc1ccc(C2c3ccccc3CCN2C=CC=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.43
HHAT Q5VTY9 3/20 0.36
SLC6A4 P31645 2/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM3 P20309 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 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
SCHEMBL7702539 0.86 PRCP (0.46) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7701133 0.86 PRCP (0.54) PRCPHHATCYP2D6CHRM3HDAC8
SCHEMBL7704956 0.84 CHRM3 (0.47) PRCPHHATSLC6A4SLC6A2SLC6A3
SCHEMBL7699278 0.83 HDAC1 (0.51) PRCPMAPTHDAC8HDAC3HDAC1
SCHEMBL7697839 0.83 PRCP (0.43) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7701159 0.83 TRPM8 (0.39) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7699731 0.82 PRCP (0.42) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7698116 0.81 TRPM8 (0.45) PRCPHHATTRPM8CYP2D6HDAC8
SCHEMBL7705576 0.81 PRCP (0.41) PRCPHHATTRPM8CYP2D6CHRM3
SCHEMBL7705610 0.81 TRPM8 (0.53) TRPM8HDAC8HDAC3HDAC1NCOR2

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