SCHEMBL9738367

SCHEMBL9738367

CCCOC(CCC)(OCCC)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 4/20 0.35
AGTR1 P30556 2/20 0.33
AGTR2 P50052 1/20 0.33

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
SCHEMBL9739634 0.95 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9738379 0.94 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9552435 0.93 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9739120 0.92 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9738521 0.91 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9738469 0.91 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9739582 0.91 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9737781 0.89 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9553384 0.88 AGTR1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9553233 0.88 SLC33A1 (0.37) SLC33A1AGTR1AGTR2

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