SCHEMBL9664198

SCHEMBL9664198

CCc1nc(C2CC2)c(C(=O)O)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL8543440 0.91 ALDH1A1 (0.36) CFTR
SCHEMBL9664094 0.90 POLB (0.32)
SCHEMBL8547860 0.88
SCHEMBL9663223 0.88 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL7308635 0.84
SCHEMBL8547883 0.83 PPARG (0.32) AGTR1AGTR2
SCHEMBL9429570 0.82 ALDH1A1 (0.38) AGTR1AGTR2
SCHEMBL7310871 0.82 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL8547600 0.81 ALDH1A1 (0.36)
SCHEMBL8544240 0.80 AGTR1 (0.30) 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-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed