SCHEMBL8942772

SCHEMBL8942772

CCCc1nc2c(Cl)cc(N)cc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.62
AGTR1 P30556 7/20 0.58
AGTR2 P50052 5/20 0.58

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
SCHEMBL8942670 0.91 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL8942739 0.86 PPARG (0.59) PPARGAGTR1AGTR2
SCHEMBL8942937 0.84 AGTR1 (0.57) PPARGAGTR1AGTR2
SCHEMBL4884818 0.82 AGTR1 (0.60) PPARGAGTR1AGTR2
SCHEMBL12606480 0.82 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL8943020 0.82 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL8847682 0.81 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL8943019 0.81 AGTR1 (0.57) PPARGAGTR1AGTR2
SCHEMBL8943015 0.81 AGTR1 (0.57) PPARGAGTR1AGTR2
SCHEMBL3642104 0.81 PPARG (0.76) PPARGAGTR1AGTR2

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