SCHEMBL8942979

SCHEMBL8942979

CCCc1nc2c(C)cc(N(C(N)=NC#N)C3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.42
AGTR2 P50052 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL8943199 0.86 AGTR1 (0.46) AGTR1PPARG
SCHEMBL7302489 0.86 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8942705 0.84 AGTR1 (0.46) AGTR1PPARG
SCHEMBL7303129 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8942975 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8942964 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8942684 0.81 PPARG (0.42) AGTR1AGTR2PPARG
SCHEMBL7309365 0.79 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8942718 0.79 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8942715 0.79 AGTR1 (0.52) 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
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
EP-0591891-A2 Benzimidazole derivatives as Angiotensin II antagonists Dr. Karl Thomae GmbH (DE) 1994-04-13 EP disclosed