SCHEMBL6874653

SCHEMBL6874653

Cc1cc(N(C)C)nc(NC[C@H]2CC[C@@H](NC(=O)c3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.64
ADRA2A P08913 4/20 0.64
HRH1 P35367 3/20 0.64
ADRA1A P35348 2/20 0.64
CRHR1 P34998 3/20 0.56
HTR2B P41595 2/20 0.52
PHGDH O43175 1/20 0.49
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.49
AURKB Q96GD4 1/20 0.49
CCR2 P41597 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
SCHEMBL6874662 1.00 MCHR1 (0.64) MCHR1ADRA2AHRH1ADRA1ACRHR1
SCHEMBL6874707 0.91 MCHR1 (0.66) MCHR1ADRA2AHRH1ADRA1ACRHR1
SCHEMBL6874704 0.91 MCHR1 (0.66) MCHR1ADRA2AHRH1ADRA1ACRHR1
SCHEMBL6464940 0.88 MCHR1 (0.82) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6464945 0.88 MCHR1 (0.82) MCHR1ADRA2AHRH1ADRA1AHTR2B
Trifluoroacetic Acid SCHEMBL6831094 0.88 MCHR1 (0.72) MCHR1ADRA2AHRH1ADRA1ACRHR1
Trifluoroacetic Acid SCHEMBL6458753 0.88 MCHR1 (0.72) MCHR1ADRA2AHRH1ADRA1ACRHR1
SCHEMBL6880861 0.87 MCHR1 (0.65) MCHR1ADRA2AHRH1ADRA1ACRHR1
SCHEMBL6880857 0.87 MCHR1 (0.65) MCHR1ADRA2AHRH1ADRA1ACRHR1
SCHEMBL7037171 0.87 MCHR1 (0.63) MCHR1ADRA2AHRH1ADRA1ACRHR1

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