SCHEMBL9040573

SCHEMBL9040573

CCCCN1NC(C)=C(C(=O)O)C1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCC(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
AGTR2 P50052 3/20 0.47

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
SCHEMBL9057816 0.93 AGTR2 (0.44) AGTR1AGTR2
SCHEMBL9040574 0.81 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9058732 0.80 AGTR2 (0.56) AGTR1AGTR2
SCHEMBL9040583 0.79 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9055893 0.78 MMP3 (0.43) AGTR1AGTR2
SCHEMBL9043899 0.76 SCN9A (0.41) AGTR1AGTR2
SCHEMBL9044769 0.75 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7803961 0.74 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9057823 0.74 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9042658 0.74 AGTR1 (0.53) 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 2 patents. 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
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed