SCHEMBL6877429

SCHEMBL6877429

Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3C(F)(F)F)CC2)nc1N(C)C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.65
ADRA2A P08913 11/20 0.65
HTR2B P41595 6/20 0.65
HRH1 P35367 5/20 0.65
ADRA1A P35348 4/20 0.65
HTR1A P08908 1/20 0.55
HCRTR1 O43613 1/20 0.45
PTGES O14684 2/20 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
SCHEMBL6877432 1.00 MCHR1 (0.65) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878425 0.88 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878434 0.88 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873912 0.87 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873917 0.87 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874087 0.85 MCHR1 (0.68) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879267 0.85 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879271 0.85 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6462525 0.85 MCHR1 (0.68) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6462539 0.85 MCHR1 (0.68) 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