SCHEMBL7702490

SCHEMBL7702490

Cc1nnsc1C1c2ccccc2CCN1C=CC=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.36
DRD1 P21728 1/20 0.32
HHAT Q5VTY9 3/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
KDM4E B2RXH2 1/20 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
SCHEMBL7702539 0.77 PRCP (0.46) PRCPHHATCYP2D6HDAC8
SCHEMBL7701133 0.76 PRCP (0.54) PRCPHHATCYP2D6HDAC8
SCHEMBL7699760 0.75 PRCP (0.36) PRCPDRD1HHATADRA1DADRA1A
SCHEMBL7702996 0.75 TRPM8 (0.39) PRCPHHATCYP2D6HDAC8
SCHEMBL7698116 0.75 TRPM8 (0.45) PRCPHHATCYP2D6HDAC8
SCHEMBL7703410 0.74 PRCP (0.35) PRCPDRD1HHATADRA1DADRA1A
SCHEMBL7706720 0.74 PRCP (0.38) PRCPDRD1ADRA1DADRA1AADRA1B
SCHEMBL7706788 0.74 CD44 (0.40) PRCPDRD1ADRA1DADRA1AADRA1B
SCHEMBL7703888 0.74 PRCP (0.39) PRCPHHATADRA1DADRA1AADRA1B
SCHEMBL7705532 0.74 HHAT (0.37) PRCPHHATADRA1DADRA1AADRA1B

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