SCHEMBL8534639

SCHEMBL8534639

CCc1cc(C(C)CC)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.57

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
SCHEMBL8532895 0.91 SLC9A1 (0.54) SLC9A1
SCHEMBL8530024 0.90 SLC9A1 (0.55) SLC9A1
SCHEMBL8533218 0.90 SLC9A1 (0.57) SLC9A1
SCHEMBL8528654 0.90 SLC9A1 (0.71) SLC9A1
SCHEMBL8532826 0.88 SLC9A1 (0.53) SLC9A1
SCHEMBL8532558 0.87 SLC9A1 (0.76) SLC9A1
SCHEMBL8529744 0.87 SLC9A1 (0.57) SLC9A1
SCHEMBL8529221 0.86 SLC9A1 (0.56) SLC9A1
SCHEMBL8529191 0.85 SLC9A1 (0.53) SLC9A1
SCHEMBL6932523 0.85 SLC9A1 (0.68) 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