SCHEMBL9693579

SCHEMBL9693579

CCCCc1nc(C)c(C(=O)NCC(=O)OCC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9694827 0.94 AGTR1 (0.37) PPARGAGTR1AGTR2KCNH2
SCHEMBL9695697 0.92 PPARG (0.34) PPARG
SCHEMBL9310894 0.90 AGTR1 (0.42) PPARGAGTR1AGTR2
SCHEMBL9694718 0.90 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9694927 0.89 AGTR1 (0.37) PPARGAGTR1AGTR2
SCHEMBL9309367 0.88 AGTR1 (0.40) PPARGAGTR1AGTR2
SCHEMBL9309706 0.88 AGTR1 (0.40) PPARGAGTR1AGTR2
SCHEMBL9694921 0.87 HPGD (0.31)
SCHEMBL9694828 0.86 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9310306 0.86 AGTR1 (0.48) PPARGAGTR1AGTR2KCNH2

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