SCHEMBL20204819

SCHEMBL20204819

O=C1CN(c2ccc(NCCc3cccc(OCC4CC4)c3)cc2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.45
DUT P33316 8/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
GRM2 Q14416 1/20 0.36
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL20204891 0.84 BCHE (0.43) ROCK2DUTKDM5AKDM4C
SCHEMBL21536613 0.78 DUT (0.45) ROCK2DUT
SCHEMBL21536687 0.76 DUT (0.49) ROCK2DUT
SCHEMBL21536576 0.74 DUT (0.49) DUT
SCHEMBL7317172 0.70 SLC2A1 (0.50) KDM5AKDM4C
SCHEMBL20191169 0.70 DUT (0.59) DUT
SCHEMBL1409587 0.70 CHRM2 (0.60) KDM5AKDM4C
SCHEMBL20204818 0.69 DUT (0.44) ROCK2DUT
SCHEMBL20190469 0.68 DUT (0.65) DUT
SCHEMBL20204893 0.68 DUT (0.56) 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