SCHEMBL6088051

SCHEMBL6088051

CCc1c(Oc2cc(C)cc(C)c2)n(Cc2ccccn2)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.45
GRIN2B Q13224 8/20 0.45
GLA P06280 1/20 0.42
TPH1 P17752 1/20 0.40
TPH2 Q8IWU9 1/20 0.40
DRD1 P21728 3/20 0.39
NOX4 Q9NPH5 3/20 0.39
TLR7 Q9NYK1 1/20 0.38
GABRA5 P31644 1/20 0.37
DAO P14920 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL7843324 0.93 GRIN1 (0.41) GRIN1GRIN2BGLATPH1TPH2
SCHEMBL6086864 0.85 HPGD (0.44) TLR7
SCHEMBL6087851 0.84 GRIN1 (0.45) GRIN1GRIN2BTPH1TPH2NOX4
SCHEMBL6086584 0.84 DCTPP1 (0.34) TPH1TPH2DRD1TLR7
SCHEMBL6087138 0.84 DRD1 (0.36) TPH1TPH2DRD1TLR7
SCHEMBL6086356 0.83 PDE10A (0.42) DRD1
SCHEMBL6085671 0.81 GRIN1 (0.44) GRIN1GRIN2BNOX4TLR7GABRA5
SCHEMBL6087044 0.81 SMN1; SMN2 (0.37) TPH1TPH2DRD1DAO
SCHEMBL6088271 0.80 NPBWR1 (0.35) DRD1
SCHEMBL6087014 0.80 DAO (0.46) DAO

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