SCHEMBL9507336

SCHEMBL9507336

CCCCc1nc(Cl)c(C(Cc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)C(=O)OC)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.53
AGTR2 P50052 2/20 0.53

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
SCHEMBL7324034 0.92 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9334016 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7314888 0.79 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9333932 0.74 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7326812 0.72 POLB (0.33)
SCHEMBL597 0.70 AGTR1 (0.84) AGTR1AGTR2
SCHEMBL226 0.69 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL773 0.69 AGTR1 (0.78) AGTR1AGTR2
SCHEMBL7939321 0.68 AGTR1 (0.98) AGTR1AGTR2
SCHEMBL593 0.68 AGTR1 (0.85) 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-0557276-A1 METHODS FOR MODELLING TERTIARY STRUCTURES OF BIOLOGICALLY ACTIVE LIGANDS INCLUDING AGONISTS AND ANTAGONISTS THERETO AND NOVEL SYNTHETIC ANTAGONISTS BASED ON ANGIOTENSIN UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (UTI) (CA) 1993-09-01 EP disclosed