SCHEMBL9738458

SCHEMBL9738458

CCC(CC)Cn1nc(C(CC)(OC2CCCCC2)OC2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.33
SLC33A1 O00400 4/20 0.32
AGTR2 P50052 1/20 0.32
PPARG P37231 2/20 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
SCHEMBL9738989 0.94 AGTR1 (0.35) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9739885 0.92 AGTR1 (0.33) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9738585 0.90 AGTR1 (0.39) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9738596 0.89 SLC33A1 (0.34) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9738064 0.89 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9739075 0.87 AGTR1 (0.35) AGTR1SLC33A1
SCHEMBL9737976 0.87 PPARG (0.32) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9739185 0.87 AGTR1 (0.34) AGTR1
SCHEMBL9738787 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9740676 0.87 AGTR1 (0.34) 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 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