SCHEMBL13797491

SCHEMBL13797491

Cc1ccc(C(=O)NC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.75
ADRA2A P08913 16/20 0.75
HRH1 P35367 4/20 0.69
HTR2B P41595 4/20 0.69
ADRA1A P35348 3/20 0.69
HTR1A P08908 1/20 0.69
NPY5R Q15761 1/20 0.69
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13793619 1.00 MCHR1 (0.75) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793622 0.93 MCHR1 (0.75) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13797483 0.91 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793243 0.90 MCHR1 (0.75) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793457 0.89 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13794549 0.88 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793788 0.88 MCHR1 (0.75) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13794697 0.87 MCHR1 (0.72) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793332 0.87 MCHR1 (0.82) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4206820 0.86 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A

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