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Sugi Predict / Compounds / SCHEMBL9740212

SCHEMBL9740212

SCHEMBL9740212

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.35
▸ SLC33A1 O00400 3/20 0.34
▸ CNR2 P34972 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ AGTR2 P50052 1/20 0.30

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
SCHEMBL9738254 0.90 AGTR1 (0.36) AGTR1SLC33A1
SCHEMBL9739916 0.89 AGTR1 (0.34) AGTR1SLC33A1CNR2
SCHEMBL9738044 0.89 AGTR1 (0.38) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9738101 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9739085 0.87 AGTR1 (0.36) AGTR1SLC33A1CNR2AGTR2
SCHEMBL9739175 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9739338 0.85 AGTR1 (0.33) AGTR1CNR2AGTR2
SCHEMBL9738485 0.85 SLC33A1 (0.33) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9737982 0.81 AGTR1 (0.37) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9738918 0.80 SLC33A1 (0.34) AGTR1SLC33A1

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