SCHEMBL6876702

SCHEMBL6876702

Cc1cnc(NC[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(Cl)c3)CC2)nc1N(C)C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.66
ADRA2A P08913 9/20 0.64
HTR2B P41595 8/20 0.64
HRH1 P35367 7/20 0.64
ADRA1A P35348 5/20 0.64
HTR1A P08908 2/20 0.51
CRHR1 P34998 2/20 0.47
NPY5R Q15761 1/20 0.47
MAPK14 Q16539 1/20 0.45

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
SCHEMBL6876708 1.00 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457276 0.92 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457283 0.92 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7039714 0.92 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878686 0.92 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7039717 0.92 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878683 0.92 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878314 0.90 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878324 0.90 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458772 0.88 MCHR1 (0.84) 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