SCHEMBL8533713

SCHEMBL8533713

CCCc1cc(CC)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.56

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
SCHEMBL8532782 0.96 SLC9A1 (0.57) SLC9A1
SCHEMBL8534891 0.95 SLC9A1 (0.56) SLC9A1
SCHEMBL6934426 0.92 SLC9A1 (0.53) SLC9A1
SCHEMBL8534951 0.92 SLC9A1 (0.61) SLC9A1
SCHEMBL8532898 0.91 SLC9A1 (0.52) SLC9A1
SCHEMBL8529129 0.91 SLC9A1 (0.52) SLC9A1
SCHEMBL8528309 0.90 SLC9A1 (0.51) SLC9A1
SCHEMBL8533757 0.90 SLC9A1 (0.51) SLC9A1
SCHEMBL8533235 0.89 SLC9A1 (0.46) SLC9A1
SCHEMBL8530560 0.89 SLC9A1 (0.50) 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