SCHEMBL13808191

SCHEMBL13808191

COc1cc([N+](=O)[O-])cc(CN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.57
ADRA2A P08913 18/20 0.57
NPY5R Q15761 5/20 0.47
HTR1A P08908 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
APP P05067 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 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
SCHEMBL13796195 0.90 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795215 0.90 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796219 0.90 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797409 0.86 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13808317 0.86 MCHR1 (0.63) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796229 0.85 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797453 0.84 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795335 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797288 0.83 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795613 0.82 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A

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