SCHEMBL8943199

SCHEMBL8943199

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL8942705 0.87 AGTR1 (0.46) AGTR1PPARG
SCHEMBL8942979 0.86 AGTR1 (0.42) AGTR1PPARG
SCHEMBL8942684 0.84 PPARG (0.42) AGTR1PPARG
SCHEMBL8942664 0.84 AGTR1 (0.51) AGTR1
SCHEMBL8942667 0.84 AGTR1 (0.51) AGTR1
SCHEMBL8943169 0.83 AGTR1 (0.52) AGTR1
SCHEMBL8943174 0.83 AGTR1 (0.52) AGTR1
SCHEMBL8943194 0.82 AGTR1 (0.52) AGTR1
SCHEMBL8943192 0.82 AGTR1 (0.52) AGTR1
SCHEMBL8942718 0.82 AGTR1 (0.52) AGTR1

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