SCHEMBL8533790

SCHEMBL8533790

CC1CCC(c2cc(F)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 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
SCHEMBL8533280 0.95 SLC9A1 (0.60) SLC9A1
SCHEMBL8533421 0.91 SLC9A1 (0.58) SLC9A1
SCHEMBL8581546 0.89 SLC9A1 (0.57) SLC9A1
SCHEMBL8534423 0.86 SLC9A1 (0.56) SLC9A1
SCHEMBL8529773 0.85 SLC9A1 (0.58) SLC9A1
SCHEMBL8581368 0.84 SLC9A1 (0.54) SLC9A1
SCHEMBL8529686 0.84 SLC9A1 (0.52) SLC9A1
SCHEMBL8532408 0.82 SLC9A1 (0.55) SLC9A1
SCHEMBL8532681 0.82 SLC9A1 (0.48) SLC9A1
SCHEMBL8530796 0.82 SLC9A1 (0.79) 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