SCHEMBL8942736

SCHEMBL8942736

CCCc1nc2c(C)cc(NC(=C[N+](=O)[O-])SC)cc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.65
AGTR2 P50052 10/20 0.65
EDNRA P25101 1/20 0.51
PPARG P37231 1/20 0.51

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
SCHEMBL8942929 0.90 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL8943009 0.89 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8942988 0.84 AGTR1 (0.53) AGTR1AGTR2EDNRA
SCHEMBL8943178 0.82 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL8942636 0.82 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8942892 0.81 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL8942887 0.81 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL8942716 0.80 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL4553370 0.80 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8942968 0.80 AGTR1 (0.66) 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