SCHEMBL7701133

SCHEMBL7701133

O=CC=CN1CCc2ccccc2C1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.54
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
HHAT Q5VTY9 3/20 0.44
CHRM3 P20309 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CYP2D6 P10635 1/20 0.43
CACNA1F O60840 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL7698116 0.89 TRPM8 (0.45) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7704956 0.89 CHRM3 (0.47) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7702539 0.89 PRCP (0.46) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7705610 0.86 TRPM8 (0.53) HDAC8HDAC3HDAC1NCOR2
SCHEMBL7705909 0.86 CYP19A1 (0.44) PRCPHDAC8
SCHEMBL7705576 0.86 PRCP (0.41) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7699278 0.86 HDAC1 (0.51) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7697965 0.86 PRCP (0.43) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7697839 0.86 PRCP (0.43) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7703888 0.85 PRCP (0.39) PRCPHDAC8HDAC3HDAC1HDAC2

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 2 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
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed