SCHEMBL6878686

SCHEMBL6878686

Cc1cnc(NCC2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.78
ADRA2A P08913 7/20 0.75
HTR2B P41595 7/20 0.75
HRH1 P35367 6/20 0.75
ADRA1A P35348 5/20 0.75
HTR1A P08908 2/20 0.55
NPY5R Q15761 1/20 0.55
MAPK14 Q16539 4/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK11 Q15759 1/20 0.47

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
SCHEMBL6878683 1.00 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878324 0.94 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7039717 0.94 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7039714 0.94 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878314 0.94 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876708 0.92 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876702 0.92 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878274 0.91 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878277 0.91 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879442 0.88 MCHR1 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed