SCHEMBL7703410

SCHEMBL7703410

O=CC=CN1CCc2ccccc2C1c1cccnn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.35
TRPM8 Q7Z2W7 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PPARG P37231 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
DRD1 P21728 2/20 0.31
CYP11B2 P19099 1/20 0.31
GLS O94925 1/20 0.31
DRD2 P14416 1/20 0.30
DRD5 P21918 1/20 0.30
HHAT Q5VTY9 2/20 0.30

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
SCHEMBL7705677 0.85 HHAT (0.37) PRCPTRPM8ADRA1DADRA1AADRA1B
SCHEMBL7705532 0.85 HHAT (0.37) PRCPTRPM8ADRA1DADRA1AADRA1B
SCHEMBL7705666 0.80 GAA (0.36) PRCPTRPM8ADRA1DADRA1AADRA1B
SCHEMBL7705731 0.80 TRPM8 (0.36) PRCPTRPM8ADRA1DADRA1AADRA1B
SCHEMBL7698116 0.79 TRPM8 (0.45) PRCPTRPM8HDAC8CYP11B2HHAT
SCHEMBL7705909 0.79 CYP19A1 (0.44) PRCPTRPM8HDAC8CYP11B2
SCHEMBL7699769 0.79 PRCP (0.37) PRCPTRPM8ADRA1DADRA1AADRA1B
SCHEMBL7701133 0.78 PRCP (0.54) PRCPHDAC8HHAT
SCHEMBL7698083 0.78 FNTA (0.34) PRCP
SCHEMBL7705565 0.77 CHRM3 (0.35) PRCPADRA1DADRA1AADRA1B

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 4 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
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed