SCHEMBL6873290

SCHEMBL6873290

Cc1cnc(NC2CCC(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)nc1N(C)C

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.81
ADRA2A P08913 10/20 0.73
HTR2B P41595 7/20 0.73
HRH1 P35367 6/20 0.73
ADRA1A P35348 5/20 0.73
HTR1A P08908 2/20 0.57
NPY5R Q15761 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48

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
SCHEMBL6873285 1.00 MCHR1 (0.81) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874697 0.93 MCHR1 (0.81) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874703 0.93 MCHR1 (0.81) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463334 0.90 MCHR1 (1.00) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463341 0.90 MCHR1 (1.00) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463145 0.90 MCHR1 (0.89) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463138 0.90 MCHR1 (0.89) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461753 0.89 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878277 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878274 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A

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
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
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