SCHEMBL13794375

SCHEMBL13794375

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3sccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.70
ADRA2A P08913 15/20 0.70
NPY5R Q15761 2/20 0.62
HRH1 P35367 2/20 0.62
HTR2B P41595 2/20 0.62
HTR1A P08908 1/20 0.62
ADRA1A P35348 1/20 0.62
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 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
SCHEMBL13794300 0.88 MCHR1 (0.58) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793465 0.86 MCHR1 (0.67) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13797527 0.85 MCHR1 (0.74) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13797540 0.85 MCHR1 (0.78) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13794167 0.85 MCHR1 (0.66) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793530 0.84 MCHR1 (0.68) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793034 0.84 MCHR1 (0.86) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL14572653 0.83 MCHR1 (0.75) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13792870 0.83 MCHR1 (0.81) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793238 0.83 MCHR1 (0.61) MCHR1ADRA2ANPY5RHRH1HTR2B

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