SCHEMBL8422264

SCHEMBL8422264

COc1cccc(CC2(N3CCNCC3)CCC(O)(c3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.57
LMNA P02545 1/20 0.46
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN9A Q15858 1/20 0.41
MCHR1 Q99705 1/20 0.41

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 0.91 HTR1D (0.59) HTR1DLMNAEDNRBEDNRASMN1; SMN2
SCHEMBL8425473 0.85 HTR1D (0.52) HTR1DLMNAEDNRBEDNRAMEN1
SCHEMBL8421954 0.85 LMNA (0.48) HTR1DLMNASMN1; SMN2SIGMAR1SCN9A
SCHEMBL8422440 0.84 SLC6A2 (0.41) LMNAMEN1KMT2A
SCHEMBL8425640 0.81 TACR1 (0.41) MEN1KMT2A
SCHEMBL8423963 0.81 LMNA (0.46) HTR1DLMNAHTTSIGMAR1SCN9A
SCHEMBL8425616 0.81 HTR1D (0.45) HTR1DLMNASMN1; SMN2HTTSIGMAR1
SCHEMBL8422132 0.80 HTR1D (0.43) HTR1DLMNAHTTSIGMAR1SCN9A
SCHEMBL8425741 0.78 NPSR1 (0.52) HTR1DLMNAHTTSIGMAR1SCN9A
SCHEMBL8422259 0.78 HTR1D (0.43) HTR1DLMNAHTTSIGMAR1

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