SCHEMBL8045075

SCHEMBL8045075

NC(N)=NC(=O)c1ccc2c(c1)S(=O)(=O)CC2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.48
HTR7 P34969 5/20 0.46

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
SCHEMBL8062780 0.86 HTR2B (0.46) HTR2BHTR7
SCHEMBL8045374 0.86 HTR2B (0.46) HTR2BHTR7
SCHEMBL8045040 0.85 HTR2B (0.44) HTR2BHTR7
SCHEMBL8056274 0.85 HTR2B (0.46) HTR2BHTR7
SCHEMBL8060754 0.82 HTR2B (0.41) HTR2BHTR7
SCHEMBL8057135 0.82 HTR2B (0.41) HTR2BHTR7
SCHEMBL8060820 0.82 HTR2B (0.41) HTR2BHTR7
SCHEMBL8060641 0.82 SLC9A1 (0.42) HTR2BHTR7
SCHEMBL31396203 0.79 CA2 (0.39)
SCHEMBL8062978 0.78 HTR2B (0.45) 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 2 patents. 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 claimed
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