SCHEMBL20204893

SCHEMBL20204893

O=c1ccn(-c2cccc(CNCCc3cccc(OCC4CC4)c3)c2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DUT P33316 19/20 0.56
BCHE P06276 1/20 0.42

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
SCHEMBL21536065 0.82 DUT (0.64) DUT
SCHEMBL20204891 0.82 BCHE (0.43) DUTBCHE
SCHEMBL21536615 0.74 DUT (0.64) DUT
SCHEMBL12631981 0.72 DUT (0.93) DUT
SCHEMBL20376229 0.72 DUT (0.63) DUT
SCHEMBL1410101 0.72 DUT (1.00) DUT
SCHEMBL1410100 0.72 DUT (1.00) DUT
SCHEMBL20204876 0.71 DUT (0.60) DUT
SCHEMBL5187966 0.71 BCHE (0.48) BCHE
SCHEMBL1409635 0.71 DUT (1.00) DUT

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed