SCHEMBL8563172

SCHEMBL8563172

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.53
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SCN9A Q15858 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.42

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
SCHEMBL8423851 0.86 HTR1D (0.59) HTR1DHTTSCN9ASIGMAR1LMNA
SCHEMBL8425616 0.83 HTR1D (0.45) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8563176 0.80 HTR1D (0.46) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8425473 0.80 HTR1D (0.52) HTR1DGAAMAPK1SIGMAR1LMNA
SCHEMBL8425548 0.79 OPRL1 (0.47) SIGMAR1
SCHEMBL8423963 0.77 LMNA (0.46) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL6043335 0.76 HTR1D (0.76) HTR1DGAAMAPK1HTTNPSR1
SCHEMBL8422264 0.76 HTR1D (0.57) HTR1DHTTSCN9ASIGMAR1LMNA
SCHEMBL8424340 0.76 OPRL1 (0.51) SIGMAR1LMNA
SCHEMBL8425741 0.76 NPSR1 (0.52) HTR1DGAAMAPK1HTTNPSR1

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