SCHEMBL6866959

SCHEMBL6866959

CN(C)c1ccnc(NC2CCC(NC(=O)c3ccc(F)cc3F)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.56
ADRA2A P08913 7/20 0.50
HRH1 P35367 4/20 0.50
ADRA1A P35348 3/20 0.50
HTR2B P41595 3/20 0.50
HPGD P15428 1/20 0.46
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
AURKB Q96GD4 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
SCHEMBL6866957 1.00 MCHR1 (0.56) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6876408 0.90 HPGD (0.61) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6876416 0.90 HPGD (0.61) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6879434 0.87 MCHR1 (0.50) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6879428 0.87 MCHR1 (0.50) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6877179 0.87 MCHR1 (0.61) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6877185 0.87 MCHR1 (0.61) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6879008 0.86 MCHR1 (0.58) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6879002 0.86 MCHR1 (0.58) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458876 0.85 MCHR1 (0.72) MCHR1ADRA2AHRH1ADRA1AHTR2B

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