SCHEMBL9740676

SCHEMBL9740676

CCC(CC)Cn1nc(C(CC)(OC(C)C)OC(C)C)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.34
CNR2 P34972 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
SCHEMBL9738072 0.94 AGTR1 (0.37) AGTR1CNR2
SCHEMBL9738541 0.91 AGTR1 (0.35) AGTR1CNR2
SCHEMBL9739075 0.91 AGTR1 (0.35) AGTR1CNR2
SCHEMBL9739185 0.90 AGTR1 (0.34) AGTR1CNR2
SCHEMBL9738787 0.90 AGTR1 (0.36) AGTR1
SCHEMBL9738697 0.90 AGTR1 (0.41) AGTR1
SCHEMBL9738065 0.89 AGTR1 (0.47) AGTR1
SCHEMBL9738458 0.87 AGTR1 (0.33) AGTR1
SCHEMBL9739254 0.86 AGTR1 (0.38) AGTR1
SCHEMBL9738777 0.86 AGTR1 (0.33) 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 1 patent. 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 disclosed