SCHEMBL9040455

SCHEMBL9040455

CCCCc1nc(-c2ccccc2Cl)cc(=O)n1Cc1ccc(OCc2ccccc2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51

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
SCHEMBL9043234 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9040463 0.88 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9039836 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9043782 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9043901 0.83 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9591188 0.80 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL9044726 0.79 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL446 0.79 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL405 0.79 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9041516 0.78 AGTR1 (0.46) 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
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed