SCHEMBL7302167

SCHEMBL7302167

CCCCc1nc2c(C)cc(NC(=O)N3CCOCC3)cc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.52
AGTR2 P50052 10/20 0.51
EDNRA P25101 1/20 0.44

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
SCHEMBL7312288 0.91 AGTR1 (0.56) AGTR1AGTR2EDNRA
SCHEMBL8847539 0.90 AGTR1 (0.58) AGTR1AGTR2EDNRA
SCHEMBL9042243 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL7308872 0.89 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL7303480 0.88 AGTR1 (0.57) AGTR1AGTR2EDNRA
SCHEMBL7305018 0.87 AGTR1 (0.61) AGTR1AGTR2EDNRA
SCHEMBL7311522 0.87 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL683384 0.85 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL7304497 0.84 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8792314 0.83 AGTR1 (0.56) 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