SCHEMBL6868112

SCHEMBL6868112

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.56
ADRA2A P08913 14/20 0.56
HRH1 P35367 6/20 0.53
HTR2B P41595 6/20 0.53
ADRA1A P35348 4/20 0.52
HTR1A P08908 1/20 0.46
NPY5R Q15761 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 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
SCHEMBL6868116 1.00 MCHR1 (0.56) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462789 0.89 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458601 0.89 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6459631 0.88 MCHR1 (0.70) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6459622 0.88 MCHR1 (0.70) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462962 0.87 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462840 0.87 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459116 0.87 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462831 0.87 MCHR1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457096 0.87 MCHR1 (0.69) 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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed