SCHEMBL6868012

SCHEMBL6868012

Cc1cnc(NC[C@H]2CC[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1N(C)C

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.63
ADRA2A P08913 6/20 0.63
HTR2B P41595 6/20 0.63
HRH1 P35367 5/20 0.63
ADRA1A P35348 4/20 0.63
HTR1A P08908 1/20 0.63
CRHR1 P34998 9/20 0.49

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
SCHEMBL6868018 1.00 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6465559 0.92 MCHR1 (0.75) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6465556 0.92 MCHR1 (0.75) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879442 0.91 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879437 0.91 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868475 0.90 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868467 0.90 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877114 0.89 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL27632527 0.89 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466965 0.89 MCHR1 (0.64) 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