SCHEMBL9694897

SCHEMBL9694897

CCCCc1nc(C)c(C(=O)NCC(=O)OCC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.35
AGTR2 P50052 2/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9694793 0.94 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9695385 0.94 ALDH1A1 (0.32) AGTR1ALDH1A1LMNA
SCHEMBL9310800 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9694922 0.90 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9859961 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9308308 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9695309 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9310878 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9309931 0.87 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9309637 0.86 AGTR1 (0.40) 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-0505954-A1 N-Imidazolylmethyl benzofuran derivatives as inhibitors of angiotensin II activity GLAXO GROUP LIMITED (GB) 1992-09-30 EP disclosed