SCHEMBL25945830

SCHEMBL25945830

COC(=O)[C@H](CCCCNC(=O)CCc1ccc(-c2ccc(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 18/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PAX8 Q06710 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25945915 0.94 CA1 (0.41) SCNN1APOLBKDM4EGLAGAA
SCHEMBL12908918 0.92 SCNN1A (0.45) SCNN1APOLB
SCHEMBL937248 0.92 SCNN1A (0.45) SCNN1APOLB
SCHEMBL30605326 0.92 CA2 (0.37) SCNN1APOLB
SCHEMBL25951450 0.89 SCNN1A (0.44) SCNN1A
SCHEMBL30605341 0.88 SCNN1A (0.43) SCNN1A
SCHEMBL25935181 0.88 SCNN1A (0.43) SCNN1A
SCHEMBL25935305 0.88 SCNN1A (0.43) SCNN1A
SCHEMBL30605310 0.86 SCNN1A (0.38) SCNN1A
SCHEMBL30605300 0.86 SCNN1A (0.34) SCNN1APOLB

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-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed