SCHEMBL9044017

SCHEMBL9044017

CCCCc1nc2cccc(CNC(C)C)c2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47

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
Water SCHEMBL9040967 0.89 AGTR2 (0.49) AGTR1AGTR2
SCHEMBL8394888 0.88 AGTR2 (0.52) AGTR1AGTR2
SCHEMBL9039227 0.86 AGTR2 (0.52) AGTR1AGTR2
SCHEMBL9040271 0.86 AGTR2 (0.52) AGTR1AGTR2
SCHEMBL9043130 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9041454 0.84 PPARG (0.52) AGTR1AGTR2
SCHEMBL9041236 0.83 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9040250 0.83 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL9704755 0.83 AGTR2 (0.49) AGTR1AGTR2
Water SCHEMBL8395448 0.82 AGTR2 (0.65) 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-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed