SCHEMBL6086356

SCHEMBL6086356

CCc1c(Oc2cc(C)cc(C)c2)n(Cc2ccc3ccccc3n2)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.42
BRD4 O60885 1/20 0.36
CYP1A2 P05177 1/20 0.35
DPP4 P27487 2/20 0.35
CYP3A4 P08684 1/20 0.35
FAP Q12884 1/20 0.35
ALOX5AP P20292 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GPBAR1 Q8TDU6 4/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
RPA1 P27694 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
DRD1 P21728 1/20 0.34
CYSLTR2 Q9NS75 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
SCHEMBL6087165 0.85 PDE10A (0.37) PDE10ABRD4CYP1A2DPP4CYP3A4
SCHEMBL6087014 0.84 DAO (0.46) PDE10ACYP1A2KDM4EALDH1A1
SCHEMBL6086584 0.83 DCTPP1 (0.34) KDM4EALDH1A1DRD1
SCHEMBL6087138 0.83 DRD1 (0.36) KDM4EALDH1A1DRD1
SCHEMBL6088051 0.83 GRIN1 (0.45) DRD1
SCHEMBL6086864 0.82 HPGD (0.44) BRD4CYP3A4KDM4EALDH1A1
SCHEMBL6088271 0.82 NPBWR1 (0.35) PDE10ACYP1A2KDM4EALDH1A1DRD1
SCHEMBL6087657 0.81 TP53 (0.39) ALDH1A1DRD1
SCHEMBL6086514 0.80 PDE10A (0.40) PDE10ABRD4DPP4CYP3A4FAP
SCHEMBL6087616 0.80 PDE10A (0.40) PDE10ABRD4CYP1A2DPP4CYP3A4

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-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed