Sugi Predict

Sugi Predict / Compounds / SCHEMBL9738989

SCHEMBL9738989

SCHEMBL9738989

CCCC(OC1CCCCC1)(OC1CCCCC1)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CC(CC)CC)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.35
▸ SLC33A1 O00400 7/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ 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
SCHEMBL9738458 0.94 AGTR1 (0.33) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9739885 0.91 AGTR1 (0.33) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9738377 0.91 AGTR1 (0.40) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9737764 0.90 AGTR1 (0.36) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9738546 0.90 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9738050 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9738528 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9739567 0.87 AGTR1 (0.33) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9738072 0.87 AGTR1 (0.37) AGTR1SLC33A1AGTR2
SCHEMBL9738205 0.86 AGTR1 (0.36) 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