SCHEMBL6878504

SCHEMBL6878504

CN(C)c1nc(NC2CCC(NC(=O)c3cccc(C(=O)c4ccccc4)c3)CC2)nc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.60
ADRA2A P08913 14/20 0.60
HRH1 P35367 4/20 0.57
HTR2B P41595 4/20 0.57
ADRA1A P35348 3/20 0.57
HTR1A P08908 1/20 0.54
NPY5R Q15761 1/20 0.54

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
SCHEMBL6878494 1.00 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457764 0.92 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457758 0.92 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464662 0.91 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6460606 0.91 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456260 0.90 KDM4E (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464280 0.90 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464273 0.90 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456268 0.90 KDM4E (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459625 0.89 NPC1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A

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
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed