SCHEMBL9553287

SCHEMBL9553287

C=CCCn1nc(C(CCC)(OC)OC)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.44
AGTR2 P50052 5/20 0.44

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
SCHEMBL9553064 0.95 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9553079 0.93 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9552195 0.91 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9552494 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9553235 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9723524 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9553598 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9552045 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9552500 0.87 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9552509 0.87 AGTR1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229406-A Treatment of glaucoma G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed