SCHEMBL9530532

SCHEMBL9530532

CCc1cc(C=O)n(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.51
AGTR2 P50052 6/20 0.51
AGT P01019 2/20 0.43

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
SCHEMBL9526763 0.85 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9526824 0.85 AGTR1 (0.53) AGTR1AGTR2AGT
SCHEMBL9427498 0.83 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL2070872 0.82 AGTR2 (0.57) AGTR1AGTR2AGT
SCHEMBL8845227 0.81 AGTR1 (0.64) AGTR1AGTR2AGT
SCHEMBL9427336 0.80 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL595068 0.80 AGTR1 (0.56) AGTR1AGTR2AGT
SCHEMBL589248 0.80 AGTR2 (0.59) AGTR1AGTR2AGT
SCHEMBL7303800 0.79 AGTR1 (0.56) AGTR1AGTR2AGT
SCHEMBL7400468 0.79 AGTR1 (0.64) 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-0323841-B1 SUBSTITUTED PYRROLE, PYRAZOLE AND TRIAZOLE ANGIOTENSIN II ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
EP-0323841-A2 Substituted pyrrole, pyrazole and triazole angiotensin II antagonists E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-12 EP disclosed