SCHEMBL8942847

SCHEMBL8942847

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.61
AGTR2 P50052 9/20 0.61
EDNRA P25101 1/20 0.50
PPARG P37231 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
SCHEMBL9410714 0.90 AGTR1 (0.56) AGTR1AGTR2EDNRAPPARG
SCHEMBL8942932 0.90 AGTR1 (0.62) AGTR1AGTR2EDNRAPPARG
SCHEMBL8942719 0.89 AGTR1 (0.61) AGTR1AGTR2EDNRA
SCHEMBL8942732 0.87 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8847572 0.83 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL8847837 0.82 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL4562990 0.82 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL3635279 0.81 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL8847862 0.81 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL4884818 0.81 AGTR1 (0.60) AGTR1AGTR2PPARG

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