SCHEMBL6876253

SCHEMBL6876253

COc1c(Br)cc(Br)cc1CNCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.45
ADRA2A P08913 12/20 0.45
NPY5R Q15761 5/20 0.45
ADRA1A P35348 2/20 0.34
HTR2B P41595 2/20 0.34
HRH1 P35367 1/20 0.34
HTR1A P08908 1/20 0.34
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL6457042 1.00 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874656 0.92 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874664 0.92 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6456916 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6456909 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875024 0.86 MCHR1 (0.53) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875028 0.86 MCHR1 (0.53) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877946 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877941 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874307 0.86 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