SCHEMBL9694871

SCHEMBL9694871

CCCCc1nc(Cl)c(C(=O)N[C@H](C(=O)OCC)[C@@H](C)CC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.34
PPARG P37231 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9695283 0.93 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9695206 0.93 AGTR1 (0.36) AGTR1AGTR2PPARGKCNH2
SCHEMBL9693720 0.93 AGTR1 (0.36) AGTR1AGTR2PPARGKCNH2
SCHEMBL9309876 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9693664 0.91 AGTR1 (0.36) AGTR1AGTR2PPARGKCNH2
SCHEMBL9694971 0.91 AGTR1 (0.36) AGTR1AGTR2PPARGKCNH2
SCHEMBL9695156 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9694942 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9695231 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9693557 0.88

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