SCHEMBL13796256

SCHEMBL13796256

CN(C)c1nc(N[C@H]2CC[C@@H](NCc3ccc(OC(C)(C)C)cc3)CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.59
ADRA2A P08913 17/20 0.59
NPY5R Q15761 5/20 0.49
APP P05067 2/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL13797301 0.91 MCHR1 (0.67) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13797318 0.89 MCHR1 (0.60) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13795868 0.89 MCHR1 (0.56) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13796591 0.89 MCHR1 (0.61) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL14606706 0.88 MCHR1 (0.58) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13795330 0.88 MCHR1 (0.60) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13797291 0.87 MCHR1 (0.56) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13794465 0.86 MCHR1 (0.54) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13794745 0.86 MCHR1 (0.54) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13797397 0.86 MCHR1 (0.54) MCHR1ADRA2ANPY5RAPPBCHE

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