SCHEMBL8533647

SCHEMBL8533647

CCCCC(C)c1cc(C)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.70

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
SCHEMBL8532551 0.93 SLC9A1 (0.73) SLC9A1
SCHEMBL8533779 0.88 SLC9A1 (0.53) SLC9A1
SCHEMBL8532826 0.88 SLC9A1 (0.53) SLC9A1
SCHEMBL8532558 0.88 SLC9A1 (0.76) SLC9A1
SCHEMBL8532665 0.86 SLC9A1 (0.51) SLC9A1
SCHEMBL8529049 0.86 SLC9A1 (0.51) SLC9A1
SCHEMBL8530405 0.85 SLC9A1 (0.50) SLC9A1
SCHEMBL8578802 0.84 SLC9A1 (0.49) SLC9A1
SCHEMBL8529265 0.83 SLC9A1 (0.76) SLC9A1
SCHEMBL7886743 0.82 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 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