SCHEMBL13796012

SCHEMBL13796012

COc1ccc(CNC[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.64
ADRA2A P08913 18/20 0.64
NPY5R Q15761 6/20 0.64
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HTR1A P08908 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL13793551 0.93 MCHR1 (0.63) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13793558 0.93 MCHR1 (0.63) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13793390 0.93 MCHR1 (0.62) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13795816 0.93 MCHR1 (0.62) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13796555 0.93 MCHR1 (0.59) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13793584 0.91 MCHR1 (0.56) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13796549 0.91 MCHR1 (0.64) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13795415 0.91 MCHR1 (0.66) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13796583 0.90 MCHR1 (0.63) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792916 0.89 MCHR1 (0.62) 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