SCHEMBL8816191

SCHEMBL8816191

CS(=O)(=O)c1cc(C(=O)N=C(N)NOC(=O)CC(O)(CC(=O)O)C(=O)O)ccc1N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.60
ERAP1 Q9NZ08 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
SCHEMBL8816063 0.87 SLC9A1 (0.71) SLC9A1
SCHEMBL8813805 0.81 SLC9A1 (0.70) SLC9A1
Citric Acid SCHEMBL8816184 0.81 SLC9A1 (0.53) SLC9A1ERAP1
SCHEMBL8814641 0.80 SLC9A1 (0.69) SLC9A1
SCHEMBL611261 0.80 SLC9A1 (0.74) SLC9A1
SCHEMBL8816572 0.79 SLC9A1 (0.67) SLC9A1
SCHEMBL8813228 0.79 SLC9A1 (0.70) SLC9A1
SCHEMBL7061450 0.76 SLC9A1 (0.71) SLC9A1
SCHEMBL29357040 0.76 SLC9A1 (1.00) SLC9A1
SCHEMBL3906519 0.76 SLC9A1 (1.00) SLC9A1

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
US-5591754-A Benzoylguanidines, pharmaceutical composition containing them and treatment of arrthythmias therewith HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed