SCHEMBL8422263

SCHEMBL8422263

O=[N+]([O-])c1ccccc1CC1(N2CCNCC2)CCC(O)(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.40
DPP4 P27487 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1D P28221 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL8422259 0.84 HTR1D (0.43) HTTGAAMAPK1NPSR1LMNA
SCHEMBL8422448 0.84 HTR1D (0.43) ALDH1A1HTTGAAMAPK1NPSR1
SCHEMBL8422132 0.84 HTR1D (0.43) HTTGAAMAPK1NPSR1LMNA
SCHEMBL8425741 0.84 NPSR1 (0.52) HTTGAAMAPK1NPSR1LMNA
SCHEMBL8425616 0.79 HTR1D (0.45) ALDH1A1NPC1RAB9AHTTGAA
SCHEMBL8423722 0.78 HTR1D (0.41) NPC1RAB9AHTTGAAMAPK1
SCHEMBL8423536 0.77 LMNA (0.47) HTTGAAMAPK1NPSR1LMNA
SCHEMBL8425744 0.77 GAA (0.44) ALDH1A1HTTGAAMAPK1NPSR1
SCHEMBL8423963 0.77 LMNA (0.46) HTTGAAMAPK1NPSR1LMNA
SCHEMBL8422264 0.74 HTR1D (0.57) HTTLMNASMN1; SMN2HTR1DSIGMAR1

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