SCHEMBL6876141

SCHEMBL6876141

Cc1cnc(NC[C@H]2CC[C@@H](NC(=O)c3ccc4c(c3)OC(F)(F)O4)CC2)nc1N(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.56
ADRA2A P08913 6/20 0.55
HTR2B P41595 6/20 0.55
HRH1 P35367 5/20 0.55
ADRA1A P35348 4/20 0.55
SMYD3 Q9H7B4 4/20 0.52
HTR1A P08908 1/20 0.49
MAPK14 Q16539 2/20 0.42
CYP2C9 P11712 1/20 0.42
CRHR1 P34998 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL6876157 1.00 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462823 0.89 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462797 0.89 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868456 0.87 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868443 0.87 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7039717 0.85 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878683 0.85 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7039714 0.85 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878314 0.85 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878686 0.85 MCHR1 (0.78) 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