SCHEMBL9044137

SCHEMBL9044137

CCCCc1nc2ccc(NCC(=O)C3CCCCC3)cc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.55
AGTR2 P50052 2/20 0.55

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
SCHEMBL9041560 0.91 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9042811 0.91 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9043725 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9043348 0.90 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8395951 0.90 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9039826 0.90 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9042640 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8791709 0.89 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9042672 0.89 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9042825 0.88 AGTR1 (0.50) 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 2 patents. 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
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed