SCHEMBL6878748

SCHEMBL6878748

Cc1ccccc1C(=O)NC[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.49
ADRA2A P08913 9/20 0.49
HTR2B P41595 4/20 0.49
ADRA1A P35348 3/20 0.49
HRH1 P35367 3/20 0.49
NPY5R Q15761 2/20 0.48
HTR1A P08908 1/20 0.47
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HTR7 P34969 1/20 0.43
BTK Q06187 1/20 0.42

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
SCHEMBL6878754 1.00 MCHR1 (0.49) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6877932 0.91 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL27631579 0.91 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6877928 0.91 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875675 0.91 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875673 0.91 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875438 0.90 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875435 0.90 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6873440 0.88 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6873446 0.88 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHRH1

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