SCHEMBL13795140

SCHEMBL13795140

COc1cccc(CN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.55
ADRA2A P08913 8/20 0.55
BCHE P06276 7/20 0.47
ACHE P22303 2/20 0.46
BACE1 P56817 1/20 0.46
NPY5R Q15761 1/20 0.45
APP P05067 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL13795757 0.92 MCHR1 (0.57) MCHR1ADRA2ABCHEACHEBACE1
SCHEMBL13796323 0.91 MCHR1 (0.57) MCHR1ADRA2ABCHEACHEBACE1
SCHEMBL13794879 0.91 MCHR1 (0.60) MCHR1ADRA2ABCHEACHEBACE1
SCHEMBL13795040 0.90 ADRA2A (0.57) MCHR1ADRA2ABCHENPY5RKDM4E
SCHEMBL13794734 0.89 MCHR1 (0.62) MCHR1ADRA2ABCHEACHENPY5R
SCHEMBL13794853 0.87 MCHR1 (0.58) MCHR1ADRA2ABCHEACHENPY5R
SCHEMBL13792916 0.86 MCHR1 (0.62) MCHR1ADRA2ABCHEACHENPY5R
SCHEMBL13796225 0.86 MCHR1 (0.61) MCHR1ADRA2ABCHEACHENPY5R
SCHEMBL13797453 0.85 MCHR1 (0.59) MCHR1ADRA2ABCHEACHENPY5R
SCHEMBL13794692 0.84 APP (0.59) MCHR1ADRA2ABCHEACHENPY5R

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