SCHEMBL8530580

SCHEMBL8530580

CCCc1c(C(=O)N=C(N)N)ccc(C(CC)CCC)c1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
SLC9A2 Q9UBY0 1/20 0.38

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
SCHEMBL8532752 0.94 SLC9A1 (0.40) SLC9A1SLC9A2
SCHEMBL8529089 0.92 SLC9A1 (0.39) SLC9A1SLC9A2
SCHEMBL8532899 0.88 SLC9A1 (0.41) SLC9A1SLC9A2
SCHEMBL8530168 0.86 SLC9A1 (0.42) SLC9A1SLC9A2
SCHEMBL8530880 0.86 SLC9A1 (0.42) SLC9A1SLC9A2
SCHEMBL8530086 0.86 SLC9A1 (0.49) SLC9A1SLC9A2
SCHEMBL8529999 0.85 SLC9A1 (0.39) SLC9A1SLC9A2
SCHEMBL8531981 0.85 SLC9A1 (0.41) SLC9A1SLC9A2
SCHEMBL8529587 0.85 SLC9A1 (0.41) SLC9A1SLC9A2
SCHEMBL8529885 0.83 SLC9A1 (0.40) SLC9A1SLC9A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed
EP-0699663-B1 Alkyl-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 1998-11-04 EP disclosed
EP-0699663-A1 Alkyl-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed