SCHEMBL13794697

SCHEMBL13794697

COc1cc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.72
ADRA2A P08913 15/20 0.72
NPY5R Q15761 2/20 0.66
ADRA1A P35348 2/20 0.66
HRH1 P35367 2/20 0.66
HTR2B P41595 2/20 0.66
HTR1A P08908 1/20 0.66

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
SCHEMBL13795025 0.90 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13793243 0.89 MCHR1 (0.75) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13793622 0.89 MCHR1 (0.75) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13793743 0.89 MCHR1 (0.77) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13794549 0.88 MCHR1 (0.71) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13797491 0.87 MCHR1 (0.75) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13793619 0.87 MCHR1 (0.75) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13797483 0.87 MCHR1 (0.79) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13792867 0.85 MCHR1 (0.80) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13793312 0.85 MCHR1 (0.80) MCHR1ADRA2ANPY5RADRA1AHRH1

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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed