SCHEMBL8057296

SCHEMBL8057296

CC1CCS(=O)(=O)c2cc(C(=O)N=C(N)N)ccc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.44
HTR7 P34969 1/20 0.44
SLC9A1 P19634 2/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC9A2 Q9UBY0 1/20 0.42

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
SCHEMBL8056274 0.87 HTR2B (0.46) HTR2BHTR7
SCHEMBL8062780 0.86 HTR2B (0.46) HTR2BHTR7
SCHEMBL8062804 0.81
SCHEMBL8062954 0.79 ALDH1A1 (0.44) SLC6A3
SCHEMBL8045075 0.77 HTR2B (0.48) HTR2BHTR7
SCHEMBL8045374 0.77 HTR2B (0.46) HTR2BHTR7
SCHEMBL8056404 0.77
SCHEMBL8045040 0.76 HTR2B (0.44) HTR2BHTR7
SCHEMBL8060754 0.76 HTR2B (0.41) HTR2BHTR7SLC9A1
SCHEMBL8060820 0.76 HTR2B (0.41) HTR2BHTR7

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