SCHEMBL27632587

SCHEMBL27632587

Cc1ccccc1CN(C(N)=O)[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.37
ADRA2A P08913 14/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH1 P35367 5/20 0.36
HTR2B P41595 5/20 0.36
ADRA1A P35348 3/20 0.36
HTR1A P08908 1/20 0.35
NPY5R Q15761 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ADRB2 P07550 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
SCHEMBL27632588 1.00 MCHR1 (0.37) MCHR1ADRA2AGAAL3MBTL1HRH1
SCHEMBL27632600 0.91 MCHR1 (0.43) MCHR1ADRA2AGAAL3MBTL1HRH1
SCHEMBL27632599 0.91 MCHR1 (0.43) MCHR1ADRA2AGAAL3MBTL1HRH1
SCHEMBL27652714 0.87 MCHR1 (0.43) MCHR1ADRA2AGAAL3MBTL1HRH1
SCHEMBL27652712 0.87 MCHR1 (0.43) MCHR1ADRA2AGAAL3MBTL1HRH1
SCHEMBL27632784 0.85 MCHR1 (0.44) MCHR1ADRA2AGAAL3MBTL1HRH1
SCHEMBL27632785 0.85 MCHR1 (0.44) MCHR1ADRA2AGAAL3MBTL1HRH1
SCHEMBL27631302 0.85 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL27631305 0.85 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL27632573 0.84 DRD2 (0.39) 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 2 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