SCHEMBL8045272

SCHEMBL8045272

CC1CS(=O)(=O)c2cc(C(=O)N=C(N)N)ccc2S1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
SLC9A1 P19634 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39

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
SCHEMBL8056412 0.81
SCHEMBL8056274 0.78 HTR2B (0.46) HTR7HTR2B
SCHEMBL8045170 0.77
SCHEMBL8062875 0.77 HTR7 (0.45) HTR7HTR2BSLC9A1
SCHEMBL8062767 0.75 HTR7 (0.40) HTR7HTR2BSLC9A1SLC9A2
SCHEMBL8056953 0.75 SLC9A1 (0.39) HTR7HTR2BSLC9A1SLC9A2
SCHEMBL8057288 0.75 HTR2B (0.41) HTR7HTR2B
SCHEMBL8058166 0.74 HTR2B (0.41) HTR7HTR2BSLC9A1SLC9A2
SCHEMBL8045075 0.74 HTR2B (0.48) HTR7HTR2B
SCHEMBL8045374 0.74 HTR2B (0.46) HTR7HTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 US disclosed