SCHEMBL8520123

SCHEMBL8520123

COc1cccc(CC2(N3CCCCC3)CCC(O)(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
GRIN2B Q13224 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR1D P28221 1/20 0.39

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
SCHEMBL8422440 0.90 SLC6A2 (0.41) MAPTKMT2ALMNAMEN1GRIN2B
SCHEMBL8425473 0.83 HTR1D (0.52) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8423851 0.83 HTR1D (0.59) MAPTKMT2ALMNAMEN1HTR1D
SCHEMBL8425548 0.83 OPRL1 (0.47)
SCHEMBL8424340 0.82 OPRL1 (0.51) MAPTKMT2ALMNAMEN1GRIN2B
SCHEMBL8425640 0.79 TACR1 (0.41) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL667793 0.78 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1HTR1D
SCHEMBL11094660 0.75 MAPT (0.54) MAPTGAAKMT2ALMNAMEN1
SCHEMBL8520559 0.74 DRD2 (0.38) LMNA
SCHEMBL8422264 0.74 HTR1D (0.57) KMT2ALMNAMEN1HTR1D

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