SCHEMBL6086609

SCHEMBL6086609

CCc1c(Sc2cc(C)cc(C)c2)n(Cc2ccccn2)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.45
GRIN2B Q13224 8/20 0.45
GLA P06280 1/20 0.44
TLR7 Q9NYK1 1/20 0.40
TPH1 P17752 1/20 0.40
TPH2 Q8IWU9 1/20 0.40
GABRA5 P31644 2/20 0.39
NOX4 Q9NPH5 3/20 0.39
GABRA1 P14867 1/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
DAO P14920 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6086545 0.85 HPGD (0.43) TPH1TPH2ADORA3MEN1TSHR
SCHEMBL6088087 0.84 GRIN1 (0.45) GRIN1GRIN2BTLR7TPH1TPH2
SCHEMBL6086113 0.84 TSHR (0.35) GLATLR7TPH1TPH2ADORA3
SCHEMBL7845277 0.83 GRIN1 (0.45) GRIN1GRIN2BGLATLR7GABRA5
SCHEMBL6086514 0.83 PDE10A (0.40) TPH1TPH2MEN1TSHRMAPK1
SCHEMBL6087645 0.81 GRIN1 (0.44) GRIN1GRIN2BTLR7GABRA5GABRA1
SCHEMBL6087421 0.81 SMN1; SMN2 (0.37) GRIN1GRIN2BTPH1TPH2ADORA3
SCHEMBL6086995 0.80 POLB (0.35) ADORA3DAOMEN1TSHRMAPK1
SCHEMBL6086507 0.79 DAO (0.45) ADORA3DAOMEN1TSHRMAPK1
SCHEMBL6088051 0.79 GRIN1 (0.45) GRIN1GRIN2BGLATLR7TPH1

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