SCHEMBL6879519

SCHEMBL6879519

COc1ccc(CNCC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.46
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
MCHR1 Q99705 4/20 0.46
ADRA2A P08913 2/20 0.42
NPY5R Q15761 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6879514 1.00 APP (0.46) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6873706 0.93 ACHE (0.54) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6873700 0.93 ACHE (0.54) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6880081 0.89 APP (0.48) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6880075 0.89 APP (0.48) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6875473 0.89 MCHR1 (0.47) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6875480 0.89 MCHR1 (0.47) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6879106 0.88 MCHR1 (0.46) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6879102 0.88 MCHR1 (0.46) APPBCHEACHEMCHR1ADRA2A
SCHEMBL6867626 0.88 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