SCHEMBL9739362

SCHEMBL9739362

CC(Oc1ccccc1)(Oc1ccccc1)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 3/20 0.34
GCGR P47871 4/20 0.33
TRPV1 Q8NER1 1/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 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
SCHEMBL9738105 0.92 SLC33A1 (0.34) SLC33A1GCGRTRPV1KCNJ6KCNJ5
SCHEMBL9738589 0.91 SLC33A1 (0.34) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9739848 0.91 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9738469 0.91 SLC33A1 (0.35) SLC33A1GCGRAGTR1AGTR2
SCHEMBL9552226 0.91 SLC33A1 (0.36) SLC33A1TRPV1KCNJ6KCNJ5KCNJ3
SCHEMBL9739582 0.90 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9552886 0.89 SLC33A1 (0.35) SLC33A1GCGRTRPV1KCNJ6KCNJ5
SCHEMBL9737781 0.87 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9738379 0.86 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9553347 0.86 SLC33A1 (0.35) SLC33A1TRPV1AGTR1AGTR2

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