SCHEMBL7312256

SCHEMBL7312256

CCCCCCNC(=O)N(c1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4OC(=O)O)cc3)c2c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.52
AGTR2 P50052 9/20 0.52

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
SCHEMBL7312250 0.91 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL7313068 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9042434 0.87 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL7303129 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9041689 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL7303454 0.83 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8873636 0.81 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7313057 0.81 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL7308939 0.81 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL7304967 0.80 AGTR1 (0.57) 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-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed