SCHEMBL9616346

SCHEMBL9616346

CCCc1nc(=O)c(Cl)c(C(=O)O)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.37
AGTR2 P50052 6/20 0.37

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
SCHEMBL9616614 0.94 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9309262 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9309539 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL3473992 0.88 AGTR1 (0.47) AGTR1AGTR2
Water SCHEMBL9311609 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9309781 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9309051 0.87 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9309518 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9309814 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9616313 0.86 PPARG (0.33) 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-0514192-A1 Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups GLAXO GROUP LIMITED (GB) 1992-11-19 EP claimed
EP-0514192-A1 Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed