SCHEMBL8534312

SCHEMBL8534312

CS(=O)(=O)c1c(C2CCCCC2)ccc(C(=O)N=C(N)N)c1Br

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.47
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8532550 0.99 SLC9A1 (0.48) SLC9A1CYP3A4
SCHEMBL8533299 0.94 SLC9A1 (0.50) SLC9A1CYP3A4
SCHEMBL8533216 0.89 SLC9A1 (0.47) SLC9A1CYP3A4
SCHEMBL8530907 0.88 SLC9A1 (0.46) SLC9A1
SCHEMBL8533174 0.86 SLC9A1 (0.47) SLC9A1
SCHEMBL8530180 0.86 SLC9A1 (0.43) SLC9A1CYP3A4
SCHEMBL8532810 0.84 SLC9A1 (0.43) SLC9A1CYP3A4
SCHEMBL8533191 0.84 SLC9A1 (0.41) SLC9A1
SCHEMBL8533204 0.84 SLC9A1 (0.48) SLC9A1CYP3A4
SCHEMBL8531065 0.83 SLC9A1 (0.41) 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