SCHEMBL9738552

SCHEMBL9738552

CC(C)OC(OC(C)C)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
AGTR1 P30556 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
SCHEMBL9553055 0.91 SLC33A1 (0.36) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9738783 0.90 SLC33A1 (0.35) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9739892 0.89 SLC33A1 (0.37) SLC33A1AGTR1
SCHEMBL9739948 0.89 SLC33A1 (0.33) SLC33A1
SCHEMBL9738288 0.88 SLC33A1 (0.33) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9553031 0.88 SLC33A1 (0.36) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9552275 0.87 SLC33A1 (0.34) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9552325 0.84 SLC33A1 (0.35) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9553593 0.84 SLC33A1 (0.36) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9739338 0.83 AGTR1 (0.33) 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