SCHEMBL6875414

SCHEMBL6875414

CN(C)c1nc(NC2CCC(NC(=O)c3cccc(C(F)(F)F)c3F)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.51
ADRA2A P08913 14/20 0.51
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
HRH1 P35367 5/20 0.44
HTR2B P41595 5/20 0.44
ADRA1A P35348 3/20 0.44
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.43
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6875410 1.00 MCHR1 (0.51) MCHR1ADRA2ATAS1R3TAS1R1TAS1R2
SCHEMBL6866568 0.89 MCHR1 (0.51) MCHR1ADRA2ATAS1R3TAS1R1TAS1R2
SCHEMBL6866562 0.89 MCHR1 (0.51) MCHR1ADRA2ATAS1R3TAS1R1TAS1R2
SCHEMBL6875781 0.88 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875770 0.88 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874530 0.86 EPHX2 (0.56) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874535 0.86 EPHX2 (0.56) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877818 0.84 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877656 0.84 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877822 0.84 MCHR1 (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