SCHEMBL20204891

SCHEMBL20204891

O=C1CN(c2cccc(CNCCc3cccc(OCC4CC4)c3)c2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.43
DUT P33316 8/20 0.42
ROCK2 O75116 4/20 0.41
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SNRNP200 O75643 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
SCHEMBL20204819 0.84 ROCK2 (0.45) DUTROCK2KDM5AKDM4C
SCHEMBL21536576 0.82 DUT (0.49) DUT
SCHEMBL20204893 0.82 DUT (0.56) BCHEDUT
SCHEMBL20204894 0.79 BCHE (0.40) BCHESNRNP200
SCHEMBL21536687 0.74 DUT (0.49) DUTROCK2
SCHEMBL20204892 0.72 DUT (0.47) DUT
SCHEMBL5187966 0.72 BCHE (0.48) BCHEKDM5AKDM4C
SCHEMBL20204757 0.71 DUT (0.41) BCHEDUT
SCHEMBL21536613 0.71 DUT (0.45) DUTROCK2
SCHEMBL20191169 0.70 DUT (0.59) 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