SCHEMBL9552199

SCHEMBL9552199

C#CCCn1nc(C(=O)CC)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39

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
SCHEMBL9552335 0.93 AGTR1 (0.40) AGTR1
SCHEMBL9552188 0.92 AGTR1 (0.42) AGTR1
SCHEMBL9552024 0.92 AGTR1 (0.35) AGTR1
SCHEMBL9553146 0.90 AGTR1 (0.43) AGTR1
SCHEMBL9553639 0.89 AGTR1 (0.50) AGTR1
SCHEMBL9553369 0.89 AGTR1 (0.39) AGTR1
SCHEMBL9552953 0.88 AGTR1 (0.37) AGTR1
SCHEMBL9553277 0.88 AGTR1 (0.47) AGTR1
SCHEMBL9723408 0.87 AGTR1 (0.39) AGTR1
SCHEMBL9553126 0.87 AGTR1 (0.47) AGTR1

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