SCHEMBL6874656

SCHEMBL6874656

CCOc1c(Br)cc(Br)cc1CNC[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.44
ADRA2A P08913 11/20 0.44
NPY5R Q15761 4/20 0.44
HTR2B P41595 4/20 0.35
ADRA1A P35348 3/20 0.35
HRH1 P35367 3/20 0.35
HTR1A P08908 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
SCHEMBL6874664 1.00 MCHR1 (0.44) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6457042 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876253 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876733 0.87 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876726 0.87 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6879007 0.84 MCHR1 (0.43) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL13797281 0.83 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6456909 0.83 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6456916 0.83 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6875028 0.82 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR2BADRA1A

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