SCHEMBL9738273

SCHEMBL9738273

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.33
SLC33A1 O00400 7/20 0.33
PPARG P37231 2/20 0.32
AGTR2 P50052 1/20 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 0.91 AGTR1 (0.39) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9739337 0.89 AGTR1 (0.45) AGTR1PPARGAGTR2
SCHEMBL9738485 0.88 SLC33A1 (0.33) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9739015 0.86 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9737759 0.85 TRPV1 (0.33) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9739085 0.85 AGTR1 (0.36) AGTR1SLC33A1AGTR2
SCHEMBL9739176 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9738458 0.85 AGTR1 (0.33) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9739885 0.85 AGTR1 (0.33) AGTR1SLC33A1PPARGAGTR2
SCHEMBL9739938 0.85 AGTR1 (0.35) 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