SCHEMBL8563176

SCHEMBL8563176

OC1(Cc2ccccc2)CCC(c2ccc3c(c2)OCO3)(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.46
PKLR P30613 1/20 0.44
SCN9A Q15858 3/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A3 Q01959 5/20 0.41
SLC6A4 P31645 4/20 0.41
SIGMAR1 Q99720 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP2B6 P20813 1/20 0.41
SLC6A2 P23975 1/20 0.41
PRCP P42785 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL8563172 0.80 HTR1D (0.53) HTR1DSCN9ASIGMAR1GAAMAPK1
SCHEMBL8425551 0.79 GRIN2B (0.50) SLC6A3SLC6A4SIGMAR1GRIN2DGRIN3B
SCHEMBL8423724 0.74 SMN1; SMN2 (0.39) HTR1DMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4650718 0.73 TSHR (0.48) MEN1MAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL8424659 0.70 HTR1D (0.38) HTR1DSCN9ASLC6A3SLC6A4SIGMAR1
SCHEMBL6043335 0.69 HTR1D (0.76) HTR1DSIGMAR1GAAMAPK1HTT
SCHEMBL8425479 0.68 SCN9A (0.39) HTR1DSCN9AMEN1KMT2ASLC6A3
SCHEMBL8423851 0.68 HTR1D (0.59) HTR1DSCN9AMEN1MAPTKMT2A
SCHEMBL11868828 0.68 HTR1D (0.60) HTR1DSIGMAR1GAAMAPK1HTT
SCHEMBL23343753 0.67 OPRL1 (0.65) SLC6A3SLC6A4GRIN2DGRIN3BSLC6A2

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-5919802-A Methods of preventing and/or treating temporal lobe epilepsy PRINCETON UNIVERSITY (US) 1999-07-06 US disclosed