SCHEMBL9738152

SCHEMBL9738152

CCC(OC1CCCCC1)(OC1CCCCC1)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 6/20 0.35
AGTR1 P30556 2/20 0.32
AGTR2 P50052 1/20 0.32
PPARG P37231 2/20 0.31
PDE5A O76074 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL9739120 0.94 SLC33A1 (0.35) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9553347 0.93 SLC33A1 (0.35) SLC33A1AGTR1AGTR2PDE5APDE1A
SCHEMBL9737781 0.92 SLC33A1 (0.35) SLC33A1AGTR1AGTR2PDE5APDE1A
SCHEMBL9738379 0.91 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9738589 0.91 SLC33A1 (0.34) SLC33A1AGTR1AGTR2PPARGTRPV1
SCHEMBL9738105 0.91 SLC33A1 (0.34) SLC33A1AGTR1AGTR2PPARGTRPV1
SCHEMBL9738585 0.88 AGTR1 (0.39) SLC33A1AGTR1AGTR2PPARG
SCHEMBL9737976 0.88 PPARG (0.32) SLC33A1AGTR1AGTR2PPARGTRPV1
SCHEMBL9552435 0.88 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9552323 0.88 SLC33A1 (0.36) SLC33A1AGTR1AGTR2TRPV1

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