SCHEMBL8423722

SCHEMBL8423722

OC1(c2ccc3c(c2)OCO3)CCC(Cc2cccs2)(N2CCNCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8423724 0.82 SMN1; SMN2 (0.39) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8422259 0.82 HTR1D (0.43) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8422132 0.82 HTR1D (0.43) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8422448 0.82 HTR1D (0.43) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8425741 0.82 NPSR1 (0.52) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8423963 0.81 LMNA (0.46) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8423536 0.79 LMNA (0.47) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8425744 0.79 GAA (0.44) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8425616 0.78 HTR1D (0.45) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8422264 0.78 HTR1D (0.57) HTR1DHTTLMNASMN1; SMN2SIGMAR1

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