SCHEMBL6873706

SCHEMBL6873706

COc1ccc(CNCC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.54
APP P05067 5/20 0.54
BCHE P06276 5/20 0.54
MCHR1 Q99705 2/20 0.47
ADRA2A P08913 1/20 0.43
NPY5R Q15761 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SSTR5 P35346 1/20 0.41

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
SCHEMBL6873700 1.00 ACHE (0.54) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6880081 0.94 APP (0.48) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6880075 0.94 APP (0.48) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6879514 0.93 APP (0.46) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6879519 0.93 APP (0.46) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6867620 0.91 MCHR1 (0.49) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6880690 0.91 MCHR1 (0.47) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6867626 0.91 MCHR1 (0.49) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6880677 0.91 MCHR1 (0.47) ACHEAPPBCHEMCHR1ADRA2A
SCHEMBL6877696 0.89 MCHR1 (0.48) ACHEAPPBCHEMCHR1ADRA2A

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