SCHEMBL9739399

SCHEMBL9739399

CC(C)OC(C)(OC(C)C)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C(C)C)n1.CCC(OC(C)C)(OC(C)C)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL9738110 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9738359 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9739254 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9738777 0.89 AGTR1 (0.33) AGTR1
SCHEMBL9740899 0.88 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9739405 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9737987 0.86 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9739126 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9740251 0.86 SLC33A1 (0.32)
SCHEMBL9739204 0.85 AGTR1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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