SCHEMBL8531065

SCHEMBL8531065

CC1CCCC1c1ccc(C(=O)N=C(N)N)c(Br)c1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.41

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
SCHEMBL8530995 0.89 SLC9A1 (0.40) SLC9A1
SCHEMBL8529506 0.87 SLC9A1 (0.37) SLC9A1
SCHEMBL27350098 0.86 SLC9A1 (0.30) SLC9A1
SCHEMBL8534285 0.85 SLC9A1 (0.42) SLC9A1
SCHEMBL8529618 0.85 SLC9A1 (0.36) SLC9A1
SCHEMBL27351397 0.84 TAS1R3 (0.32) SLC9A1
SCHEMBL8533691 0.84 SLC9A1 (0.35) SLC9A1
SCHEMBL8532550 0.84 SLC9A1 (0.48) SLC9A1
SCHEMBL8533299 0.83 SLC9A1 (0.50) SLC9A1
SCHEMBL8530214 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