SCHEMBL8091183

SCHEMBL8091183

CCCCc1nc2ccn(Cc3ccc(C(=O)O)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 0.68
AGTR2 P50052 20/20 0.68

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
SCHEMBL8081233 0.94 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL8081267 0.94 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL8088517 0.92 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL614372 0.91 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL8095012 0.90 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL29395394 0.87 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL9583456 0.87 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL9264451 0.87 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL8080801 0.87 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL9486998 0.87 AGTR1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed