SCHEMBL8490673

SCHEMBL8490673

Clc1ccc(C2NCCc3sccc32)s1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
DRD3 P35462 1/20 0.36
KEAP1 Q14145 1/20 0.33
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8492295 0.76 GID4 (0.55) GID4L3MBTL1HTR2AHTR2CDRD3
SCHEMBL2664145 0.74 GID4 (0.71) GID4L3MBTL1DRD3MAPK1NPSR1
SCHEMBL2359018 0.70 GID4 (0.71) GID4L3MBTL1DRD3
SCHEMBL20912502 0.70 GID4 (0.71) GID4L3MBTL1DRD3
SCHEMBL20912489 0.70 GID4 (0.71) GID4L3MBTL1DRD3
SCHEMBL12760970 0.68 GID4 (0.62) GID4L3MBTL1DRD3KEAP1PNMT
SCHEMBL4344185 0.68 GID4 (1.00) GID4L3MBTL1HTR2AHTR2CDRD3
SCHEMBL4353119 0.68 GID4 (0.67) GID4L3MBTL1DRD3KEAP1PNMT
SCHEMBL3404796 0.67 GID4 (0.57) GID4L3MBTL1DRD3KEAP1PNMT
SCHEMBL12761049 0.67 GID4 (0.60) GID4L3MBTL1HTR2CDRD3KEAP1

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
WO-1999045013-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-09-10 WO disclosed