SCHEMBL8423724

SCHEMBL8423724

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
POLB P06746 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HTR1D P28221 1/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL8423722 0.82 HTR1D (0.41) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL8424659 0.74 HTR1D (0.38) RAB9ALMNASLC6A4SLC6A3HTR1D
SCHEMBL8563176 0.74 HTR1D (0.46) SMN1; SMN2SLC6A4SLC6A3HTR1DMAPK1
SCHEMBL8425479 0.73 SCN9A (0.39) RAB9ASLC6A4SLC6A3HTR1DMAPK1
SCHEMBL30960368 0.69 GRIN2B (0.44) HPGDL3MBTL1LMNAPOLBGAA
SCHEMBL8422259 0.66 HTR1D (0.43) LMNAHTR1DMAPK1GAAHTT
SCHEMBL8422448 0.66 HTR1D (0.43) LMNAHTR1DMAPK1GAAHTT
SCHEMBL8425741 0.66 NPSR1 (0.52) LMNAHTR1DMAPK1GAAHTT
SCHEMBL8422132 0.66 HTR1D (0.43) LMNAHTR1DMAPK1GAAHTT
SCHEMBL8423963 0.65 LMNA (0.46) LMNAHTR1DMAPK1GAAHTT

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