SCHEMBL6875990

SCHEMBL6875990

Cc1cnc(N[C@H]2CC[C@@H](NCc3ccc(F)c(F)c3)CC2)nc1N(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.63
ADRA2A P08913 8/20 0.61
HTR2B P41595 7/20 0.61
HRH1 P35367 6/20 0.61
ADRA1A P35348 5/20 0.61
HTR1A P08908 2/20 0.47
NPY5R Q15761 1/20 0.41
CCNT1 O60563 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK11 Q15759 1/20 0.35
MAPK15 Q8TD08 1/20 0.35

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
SCHEMBL6875998 1.00 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879245 0.86 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879241 0.86 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875146 0.85 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875152 0.85 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873926 0.84 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873929 0.84 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879667 0.84 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6459968 0.84 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6455609 0.84 MCHR1 (0.73) 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