SCHEMBL6876170

SCHEMBL6876170

Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.59
ADRA2A P08913 4/20 0.57
HTR2B P41595 4/20 0.57
ADRA1A P35348 3/20 0.57
HRH1 P35367 3/20 0.57
HTR1A P08908 1/20 0.51
MAPK14 Q16539 6/20 0.49
CYP2C9 P11712 2/20 0.44
HSPB1 P04792 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL6872145 0.89 MCHR1 (0.69) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6872150 0.89 MCHR1 (0.69) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6874123 0.88 MCHR1 (0.75) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6874129 0.88 MCHR1 (0.75) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6877119 0.88 MCHR1 (0.56) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6457674 0.88 MCHR1 (0.57) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6457667 0.88 MCHR1 (0.57) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6877116 0.88 MCHR1 (0.56) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6867992 0.87 MCHR1 (0.69) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6867985 0.87 MCHR1 (0.69) 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