SCHEMBL9552467

SCHEMBL9552467

C=CCCn1nc(C(CCC)(OC)OC)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.40
AGTR2 P50052 1/20 0.31

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
SCHEMBL9552284 0.95 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9553473 0.94 AGTR1 (0.38) AGTR1
SCHEMBL9552190 0.92 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9552862 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9552361 0.90 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9553655 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9552638 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9552060 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9552213 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9552358 0.87 AGTR1 (0.40) 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