SCHEMBL29368802

SCHEMBL29368802

c1ccc2[nH]c(CN3CCCC3)nc2c1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.97
HPGD P15428 2/20 0.75
DRD4 P21917 13/20 0.71
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HSD17B10 Q99714 1/20 0.68
DRD2 P14416 2/20 0.66
NPC1 O15118 1/20 0.64
GAA P10253 1/20 0.64
GRIN1 Q05586 1/20 0.64
GRIN2B Q13224 1/20 0.64
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
OPRK1 P41145 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
GRM2 Q14416 1/20 0.61

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
SCHEMBL12045417 1.00 HTT (0.97) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL31010306 0.98 HTT (1.00) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL22633621 0.98 HTT (1.00) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL15063202 0.98 HTT (1.00) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL5157052 0.93 HTT (0.84) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL3738083 0.91 HTT (0.81) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL9202923 0.88 HTT (0.76) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL22639783 0.88 HTT (0.76) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL18011118 0.88 HTT (0.76) HTTHPGDDRD4KDM4EALDH1A1
SCHEMBL13833225 0.87 HTT (0.75) HTTHPGDDRD4KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976187-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY The Regents of the University of California (US) 2022-04-06 EP disclosed
CN-114007692-A Methods and compositions for treating epilepsy 加利福尼亚大学董事会 2022-02-01 CN disclosed