SCHEMBL6868443

SCHEMBL6868443

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

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.73
ADRA2A P08913 6/20 0.73
HTR2B P41595 6/20 0.73
HRH1 P35367 5/20 0.73
ADRA1A P35348 4/20 0.73
HTR1A P08908 1/20 0.66
SMYD3 Q9H7B4 2/20 0.43
CYP2C9 P11712 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL6868456 1.00 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462823 0.89 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462797 0.89 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876157 0.87 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6876141 0.87 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464265 0.85 MCHR1 (0.90) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878330 0.85 MCHR1 (0.90) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466247 0.85 MCHR1 (1.00) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466243 0.85 MCHR1 (1.00) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464274 0.85 MCHR1 (0.90) 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