SCHEMBL8942858

SCHEMBL8942858

CCCc1nc2c(Cl)cc(NC(=NC#N)NC)cc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.51
AGTR2 P50052 8/20 0.51
AGT P01019 2/20 0.42
PPARG P37231 3/20 0.42
EDNRA P25101 1/20 0.39

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
SCHEMBL8942854 1.00 AGTR1 (0.51) AGTR1AGTR2AGTPPARGEDNRA
SCHEMBL8943008 0.92 AGTR1 (0.50) AGTR1AGTR2AGTPPARG
SCHEMBL8943000 0.92 AGTR1 (0.50) AGTR1AGTR2AGTPPARG
SCHEMBL8942863 0.84 AGTR1 (0.50) AGTR1AGTR2AGTPPARG
SCHEMBL8942662 0.83 AGTR1 (0.45) AGTR1AGTR2PPARGEDNRA
SCHEMBL8942669 0.83 AGTR1 (0.45) AGTR1AGTR2PPARGEDNRA
SCHEMBL8943248 0.83 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8943251 0.83 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8942692 0.82 AGTR1 (0.60) AGTR1AGTR2AGTPPARG
SCHEMBL9410666 0.81 AGTR1 (0.52) 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 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