Sugi Predict

Sugi Predict / Compounds / SCHEMBL9738485

SCHEMBL9738485

SCHEMBL9738485

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC33A1 O00400 8/20 0.33
▸ AGTR1 P30556 2/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ PPARG P37231 2/20 0.31

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
SCHEMBL9738067 0.90 AGTR1 (0.39) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9738273 0.88 AGTR1 (0.33) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9739337 0.88 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9737759 0.86 TRPV1 (0.33) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9739948 0.85 SLC33A1 (0.33) SLC33A1
SCHEMBL9738254 0.85 AGTR1 (0.36) SLC33A1AGTR1
SCHEMBL9740212 0.85 AGTR1 (0.35) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9738529 0.85 SLC33A1 (0.34) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9738044 0.84 AGTR1 (0.38) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9739916 0.84 AGTR1 (0.34) SLC33A1AGTR1

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