SCHEMBL8942732

SCHEMBL8942732

CCCc1nc2c(C)cc(NC(=C(C#N)C#N)N3CCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.59
AGTR2 P50052 9/20 0.59

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
SCHEMBL8942912 0.91 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL8942932 0.88 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8942847 0.87 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8942719 0.87 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8847572 0.81 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL8847837 0.81 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL8847539 0.80 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9095621 0.80 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL4562990 0.80 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL7308690 0.80 AGTR1 (0.79) 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
US-5521177-A ANGIOTENSIN ANTAGONIST FOR CARDIOVASCULAR DISORDERS SUCH AS ISCHEMIA OR CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS COGNITIVE FUNCTIONS, DEPRESSION, ALZHEIMER'S DISEASE OR PARKINSON'S SYNDROME DR. KARL THOMAE GMBH (DE) 1996-05-28 US disclosed