SCHEMBL9039713

SCHEMBL9039713

CCCCNc1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4OC(=O)OC(C)(C)C)cc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.52
AGTR2 P50052 2/20 0.52
PPARG P37231 4/20 0.49

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
SCHEMBL9043713 0.98 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9043725 0.93 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9042813 0.93 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9042640 0.93 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL8791709 0.92 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9041059 0.92 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9043803 0.92 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9041812 0.92 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9043348 0.92 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9042825 0.91 AGTR1 (0.50) AGTR1AGTR2PPARG

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