SCHEMBL7798613

SCHEMBL7798613

CC=CCc1cc(CC)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.52

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
SCHEMBL7798611 1.00 SLC9A1 (0.52) SLC9A1
SCHEMBL7802924 0.91 SLC9A1 (0.51) SLC9A1
SCHEMBL7802926 0.91 SLC9A1 (0.51) SLC9A1
SCHEMBL7798877 0.90 SLC9A1 (0.50) SLC9A1
SCHEMBL7798875 0.90 SLC9A1 (0.50) SLC9A1
SCHEMBL7798562 0.89 SLC9A1 (0.49) SLC9A1
SCHEMBL7798565 0.89 SLC9A1 (0.49) SLC9A1
SCHEMBL8534951 0.88 SLC9A1 (0.61) SLC9A1
SCHEMBL7798998 0.88 SLC9A1 (0.52) SLC9A1
SCHEMBL7802906 0.88 SLC9A1 (0.67) 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
EP-0760365-B1 Alkenyl-benzoylguanidines MERCK PATENT GMBH (DE) 2001-01-03 EP disclosed
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
EP-0760365-A2 Alkenyl-benzoylguanidines MERCK PATENT GmbH (DE) 1997-03-05 EP disclosed