SCHEMBL6874307

SCHEMBL6874307

COc1cc(OC)c(CNC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.46
ADRA2A P08913 8/20 0.46
NPY5R Q15761 4/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA1A P35348 2/20 0.35
HTR2B P41595 2/20 0.35
HRH1 P35367 1/20 0.35
HTR1A P08908 1/20 0.35
EHMT2 Q96KQ7 8/20 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
SCHEMBL6878131 0.94 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4EADRA1A
SCHEMBL6878137 0.94 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4EADRA1A
SCHEMBL6877941 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877946 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875024 0.90 MCHR1 (0.53) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6875028 0.90 MCHR1 (0.53) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6456909 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6456916 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877474 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877468 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B

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