SCHEMBL7304965

SCHEMBL7304965

C=CCNC(=O)Nc1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4OC(=O)O)cc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.61
AGTR2 P50052 12/20 0.61
EDNRA P25101 1/20 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
SCHEMBL7309765 0.90 AGTR1 (0.64) AGTR1AGTR2EDNRA
SCHEMBL7308939 0.89 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8847959 0.89 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL7312165 0.87 AGTR1 (0.61) AGTR1AGTR2EDNRA
SCHEMBL7309822 0.86 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL7305208 0.85 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL7308694 0.84 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL7309888 0.84 AGTR1 (0.57) AGTR1AGTR2EDNRA
SCHEMBL7304506 0.83 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9410703 0.83 AGTR1 (0.61) AGTR1AGTR2EDNRA

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