SCHEMBL13795125

SCHEMBL13795125

COc1ccc(CCCC(=O)NC[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.55
▸ ADRA2A P08913 16/20 0.55
▸ NPY5R Q15761 5/20 0.55
▸ APP P05067 2/20 0.55
▸ BCHE P06276 2/20 0.55
▸ ACHE P22303 2/20 0.55
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ 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
SCHEMBL13794418 0.95 APP (0.56) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13793566 0.91 MCHR1 (0.57) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13794729 0.91 MCHR1 (0.59) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13796132 0.89 APP (0.60) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13795289 0.89 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796254 0.88 APP (0.59) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13795135 0.87 APP (0.65) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13794098 0.86 MCHR1 (0.61) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL13794353 0.86 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5528497 0.86 APP (0.59) 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
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