SCHEMBL8425616

SCHEMBL8425616

OC1(c2ccc3c(c2)OCCO3)CCC(Cc2ccccc2)(N2CCNCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.45
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
CYP2D6 P10635 1/20 0.39
SCN9A Q15858 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CREBBP Q92793 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL8563172 0.83 HTR1D (0.53) HTR1DGAASCN9AHTTMAPK1
SCHEMBL8422132 0.82 HTR1D (0.43) HTR1DGAASCN9AHTTMAPK1
SCHEMBL8422448 0.82 HTR1D (0.43) HTR1DALDH1A1GAAHTTMAPK1
SCHEMBL8422259 0.82 HTR1D (0.43) HTR1DGAAHTTMAPK1NPSR1
SCHEMBL8425741 0.82 NPSR1 (0.52) HTR1DGAASCN9AHTTMAPK1
SCHEMBL8423963 0.81 LMNA (0.46) HTR1DGAASCN9AHTTMAPK1
SCHEMBL8422264 0.81 HTR1D (0.57) HTR1DSCN9AHTTSIGMAR1SMN1; SMN2
SCHEMBL8422263 0.79 ALDH1A1 (0.42) HTR1DALDH1A1GAAHTTMAPK1
SCHEMBL8423722 0.78 HTR1D (0.41) HTR1DGAAHTTMAPK1NPSR1
SCHEMBL8423536 0.78 LMNA (0.47) HTR1DGAAHTTMAPK1NPSR1

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