SCHEMBL13794853

SCHEMBL13794853

COc1cc(CN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c(OCc2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.58
ADRA2A P08913 15/20 0.58
APP P05067 3/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPY5R Q15761 3/20 0.48
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
SCHEMBL13795176 0.92 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13795041 0.90 MCHR1 (0.60) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13794734 0.88 MCHR1 (0.62) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796225 0.88 MCHR1 (0.61) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13794692 0.88 APP (0.59) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13795140 0.87 MCHR1 (0.55) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13796345 0.87 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795757 0.86 MCHR1 (0.57) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797468 0.86 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797398 0.86 MCHR1 (0.66) MCHR1ADRA2AAPPBCHEACHE

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