SCHEMBL13796232

SCHEMBL13796232

COc1cc(CCNC[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.57
APP P05067 3/20 0.57
ACHE P22303 2/20 0.57
MCHR1 Q99705 14/20 0.51
ADRA2A P08913 13/20 0.51
NPY5R Q15761 4/20 0.51
HTR1A P08908 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 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
SCHEMBL13795135 0.94 APP (0.65) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13796104 0.91 MCHR1 (0.56) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13795304 0.90 APP (0.60) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13796339 0.90 MCHR1 (0.58) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13796132 0.89 APP (0.60) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13796254 0.88 APP (0.59) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13794033 0.87 MCHR1 (0.53) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13795377 0.87 MCHR1 (0.51) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13795395 0.87 MCHR1 (0.55) BCHEAPPACHEMCHR1ADRA2A
SCHEMBL13797061 0.87 APP (0.64) BCHEAPPACHEMCHR1ADRA2A

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