SCHEMBL7262013

SCHEMBL7262013

CCCCc1nc(SC)c(C(=O)OCC)n1Cc1cccc(Cc2cccc(S(N)(=O)=O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.44
AGTR2 P50052 2/20 0.44

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
SCHEMBL7266445 0.96 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7609818 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7266420 0.87 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL6233588 0.87 AGTR2 (0.39) AGTR1AGTR2
SCHEMBL7267748 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7267745 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7267772 0.83 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7616650 0.83 AGTR2 (0.49) AGTR1AGTR2
SCHEMBL6229944 0.83 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL7266463 0.82 AGTR1 (0.43) AGTR1AGTR2

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-6573288-B1 Compounds are inhibitors of the sodium-dependent bicarbonate/chloride ion exchanger which can be used as medicines for the prophylaxis or treatment of a wide range of diseases, for example the treatment and/or prophylaxis of AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-03 US disclosed