SCHEMBL9040872

SCHEMBL9040872

CCCCc1nc2ccc(NC(=O)NC3CCCCO3)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.67
AGTR2 P50052 1/20 0.67

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
SCHEMBL9044962 0.93 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9044005 0.92 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8391301 0.90 AGTR1 (0.82) AGTR1AGTR2
SCHEMBL6567320 0.90 AGTR1 (0.82) AGTR1AGTR2
SCHEMBL8395299 0.89 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8392539 0.87 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9041005 0.87 AGTR1 (0.65) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL9041880 0.87 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL9042939 0.87 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9044581 0.86 AGTR1 (0.66) 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 4 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 claimed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP claimed
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