SCHEMBL6875258

SCHEMBL6875258

COc1ccc(CNCC2CCC(Nc3nccc(N(C)C)n3)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
APP P05067 3/20 0.46
BCHE P06276 2/20 0.46
BACE1 P56817 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MCHR1 Q99705 4/20 0.39
ADRA2A P08913 1/20 0.39
NPY5R Q15761 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CHEK1 O14757 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL6467019 1.00 ACHE (0.51) ACHEAPPBCHEBACE1MEN1
SCHEMBL6459962 0.94 ACHE (0.46) ACHEAPPBCHEBACE1MEN1
SCHEMBL6872857 0.93 ACHE (0.43) ACHEAPPBCHEBACE1MCHR1
SCHEMBL6463524 0.93 ACHE (0.43) ACHEAPPBCHEBACE1MCHR1
SCHEMBL6875044 0.90 ACHE (0.43) ACHEAPPBCHEBACE1MEN1
SCHEMBL6873488 0.90 ACHE (0.51) ACHEAPPBCHEBACE1MCHR1
SCHEMBL6873495 0.90 ACHE (0.51) ACHEAPPBCHEBACE1MCHR1
SCHEMBL6875018 0.90 ACHE (0.43) ACHEAPPBCHEBACE1MEN1
SCHEMBL6877759 0.88 MCHR1 (0.42) ACHEAPPBCHEBACE1MCHR1
SCHEMBL6877765 0.88 MCHR1 (0.42) ACHEAPPBCHEBACE1MCHR1

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