SCHEMBL9043335

SCHEMBL9043335

CCCN1NC(C2CC2)=C(C(=O)O)C1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.54
AGTR1 P30556 6/20 0.54

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
SCHEMBL9042547 0.93 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9042606 0.91 AGTR2 (0.51) AGTR2AGTR1
SCHEMBL9040908 0.87 AGTR1 (0.54) AGTR2AGTR1
SCHEMBL9056421 0.87 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL9042538 0.86 AGTR1 (0.53) AGTR2AGTR1
SCHEMBL9042658 0.86 AGTR1 (0.53) AGTR2AGTR1
SCHEMBL9044147 0.86 AGTR1 (0.53) AGTR2AGTR1
SCHEMBL9042273 0.85 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL9042695 0.82 AGTR1 (0.52) AGTR2AGTR1
SCHEMBL9057204 0.81 AGTR1 (0.51) AGTR2AGTR1

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
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed