SCHEMBL7705909

SCHEMBL7705909

O=CC=CN1CCc2ccccc2C1c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
CYP11B2 P19099 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.42
PRCP P42785 3/20 0.40
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTR2C P28335 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
STAT3 P40763 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL7703888 0.88 PRCP (0.39) TRPM8PRCPHDAC8
SCHEMBL7698116 0.86 TRPM8 (0.45) CYP19A1CYP11B2TRPM8PRCPHDAC8
SCHEMBL7701133 0.86 PRCP (0.54) PRCPHDAC8
SCHEMBL7699769 0.86 PRCP (0.37) TRPM8PRCPHDAC8
SCHEMBL7702996 0.84 TRPM8 (0.39) TRPM8PRCPHDAC8
SCHEMBL7705666 0.82 GAA (0.36) CYP19A1CYP11B2TRPM8PRCPKDM4E
SCHEMBL7701032 0.81 HPGD (0.37) TRPM8PRCPHPGD
SCHEMBL7700015 0.81 TRPM8 (0.39) TRPM8PRCPHDAC8
SCHEMBL7704881 0.79 CYP19A1 (0.44) CYP19A1MAPTHPGDKDM4ECYP3A4
SCHEMBL7704956 0.79 CHRM3 (0.47) PRCPHDAC8

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