SCHEMBL7038459

SCHEMBL7038459

Cc1cnc(NCC2CCC(NC(=O)c3cccc(OC(F)(F)F)c3)CC2)nc1N(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.59
ADRA2A P08913 9/20 0.59
HTR2B P41595 6/20 0.59
HRH1 P35367 5/20 0.59
ADRA1A P35348 4/20 0.59
HTR1A P08908 1/20 0.52
HPGDS O60760 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
NPY5R Q15761 1/20 0.43
CRHR1 P34998 1/20 0.43

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
SCHEMBL7038454 1.00 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL27632527 0.90 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877114 0.90 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6459598 0.88 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6459588 0.88 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868475 0.88 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868467 0.88 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463540 0.87 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463546 0.87 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6866358 0.84 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 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