SCHEMBL6880075

SCHEMBL6880075

CCOc1cc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
SSTR5 P35346 4/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
MCHR1 Q99705 2/20 0.44
ADRA2A P08913 1/20 0.41
NPY5R Q15761 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6880081 1.00 APP (0.48) APPBCHEACHESSTR5HRH1
SCHEMBL6873706 0.94 ACHE (0.54) APPBCHEACHESSTR5MCHR1
SCHEMBL6873700 0.94 ACHE (0.54) APPBCHEACHESSTR5MCHR1
SCHEMBL6874262 0.91 SSTR5 (0.46) APPBCHEACHESSTR5HRH1
SCHEMBL6874270 0.91 SSTR5 (0.46) APPBCHEACHESSTR5HRH1
SCHEMBL6876436 0.90 MCHR1 (0.52) APPBCHEACHESSTR5HRH1
SCHEMBL6876428 0.90 MCHR1 (0.52) APPBCHEACHESSTR5HRH1
SCHEMBL6879519 0.89 APP (0.46) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6879514 0.89 APP (0.46) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6867620 0.87 MCHR1 (0.49) APPBCHEACHEMCHR1ADRA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed