SCHEMBL8530997

SCHEMBL8530997

CCc1c(C(=O)N=C(N)N)ccc(C)c1S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.50

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
SCHEMBL8530896 0.89 SLC9A1 (0.48) SLC9A1
SCHEMBL8532048 0.89 SLC9A1 (0.43) SLC9A1
SCHEMBL8838323 0.84 MC4R (0.43) SLC9A1
SCHEMBL8532633 0.83 SLC9A1 (0.51) SLC9A1
SCHEMBL8533996 0.83 SLC9A1 (0.41) SLC9A1
SCHEMBL8533825 0.82 SLC9A1 (0.55) SLC9A1
SCHEMBL8529587 0.82 SLC9A1 (0.41) SLC9A1
SCHEMBL8533507 0.81 SLC9A1 (0.43) SLC9A1
SCHEMBL8529748 0.81 SLC9A1 (0.43) SLC9A1
SCHEMBL8530984 0.81 SLC9A1 (0.39) 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