SCHEMBL7314592

SCHEMBL7314592

OC1(c2ccc3c(c2)OCO3)c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.54
SCN9A Q15858 18/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL7538989 0.79 SCN9A (0.47) SLC6A3SCN9ASLC6A2SLC6A4
SCHEMBL7534451 0.79 EDNRA (0.48) SLC6A3SCN9A
SCHEMBL4597267 0.77 POLB (0.55) SCN9A
SCHEMBL30281291 0.74 PDK2 (0.50)
SCHEMBL19039047 0.74 PDK2 (0.50)
SCHEMBL4730463 0.74 SCN9A (0.45) SLC6A3SCN9A
SCHEMBL14970793 0.73 SLC6A2 (0.43) SLC6A3SLC6A2SLC6A4
SCHEMBL23996970 0.73 PDK2 (0.45)
SCHEMBL18450888 0.73 LMNA (0.38)
SCHEMBL11609817 0.71 SLC6A3 (0.56) SLC6A3SCN9ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed
WO-1999041227-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-08-19 WO disclosed