SCHEMBL13808281

SCHEMBL13808281

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)C3=CCCO3)CC2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 19/20 0.66
▸ ADRA2A P08913 17/20 0.66
▸ NPY5R Q15761 3/20 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 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL13808422 0.84 MCHR1 (0.65) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793034 0.84 MCHR1 (0.86) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL4032911 0.82 MCHR1 (0.74) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL4032915 0.82 MCHR1 (0.74) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793460 0.81 MCHR1 (0.72) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13807867 0.81 MCHR1 (0.66) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13793347 0.80 MCHR1 (0.68) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13792896 0.80 MCHR1 (0.74) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL4207614 0.80 MCHR1 (0.70) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL13797563 0.80 MCHR1 (0.83) 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 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
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