SCHEMBL7704956

SCHEMBL7704956

O=CC=CN1CCc2ccccc2C1c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.47
PRCP P42785 4/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HDAC8 Q9BY41 3/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LIPE Q05469 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
HHAT Q5VTY9 2/20 0.36

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
SCHEMBL7701133 0.89 PRCP (0.54) CHRM3PRCPHDAC8HDAC3HDAC1
SCHEMBL7702539 0.87 PRCP (0.46) CHRM3PRCPHDAC8CA1CA2
SCHEMBL7698116 0.85 TRPM8 (0.45) PRCPHDAC8RECQLHDAC3HDAC1
SCHEMBL7701032 0.84 HPGD (0.37) CHRM3PRCP
SCHEMBL7697839 0.84 PRCP (0.43) CHRM3PRCPHDAC8HDAC3HDAC1
SCHEMBL7705576 0.84 PRCP (0.41) CHRM3PRCPHDAC8HDAC3HDAC1
SCHEMBL7697965 0.84 PRCP (0.43) CHRM3PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL7699278 0.84 HDAC1 (0.51) PRCPHDAC8MEN1KMT2ACA1
SCHEMBL7705610 0.84 TRPM8 (0.53) HDAC8HDAC3HDAC1NCOR2
SCHEMBL7699731 0.83 PRCP (0.42) CHRM3PRCPHHAT

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