SCHEMBL11069577

SCHEMBL11069577

C=C(C)Cn1c(=O)c2[nH]c(C)nc2n(CCC)c1=O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.52
▸ SIRT3 Q9NTG7 1/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.52
▸ ADORA1 P30542 5/20 0.49
▸ ADORA2A P29274 2/20 0.48
▸ ADORA2B P29275 2/20 0.48

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
SCHEMBL11075794 0.96 SIRT1 (0.54) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL1063544 0.86 SIRT1 (0.68) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL9122584 0.84 PDE1A (0.63) —
SCHEMBL10859893 0.81 SIRT1 (0.61) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL10856971 0.81 SIRT1 (0.61) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL10856290 0.80 ADORA2B (0.61) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL9430619 0.80 ADORA2A (0.61) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL9430566 0.79 PDE2A (0.56) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL9430131 0.79 ADORA2A (0.56) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL11286152 0.78 PDE2A (0.59) SIRT1SIRT3SIRT5ADORA1ADORA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469698-A SEDATIVES, TRANQUILIZERS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-09-04 — — US claimed
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