SCHEMBL7476959

SCHEMBL7476959

c1ccc2[nH]c(CN3CCNCCNCC3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
HPGD P15428 1/20 0.69
DRD4 P21917 13/20 0.66
DRD2 P14416 2/20 0.61
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
GRIN1 Q05586 1/20 0.60
GRIN2B Q13224 1/20 0.60
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
OPRK1 P41145 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
GRM2 Q14416 1/20 0.57

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
SCHEMBL31757259 0.98 HTT (0.71) HTTHPGDDRD4DRD2NPC1
SCHEMBL17968374 0.98 HTT (0.71) HTTHPGDDRD4DRD2NPC1
SCHEMBL30225658 0.98 HTT (0.75) HTTHPGDDRD4DRD2NPC1
SCHEMBL13833225 0.98 HTT (0.75) HTTHPGDDRD4DRD2NPC1
SCHEMBL8690436 0.98 HTT (0.75) HTTHPGDDRD4DRD2NPC1
SCHEMBL18011118 0.93 HTT (0.76) HTTHPGDDRD4DRD2NPC1
SCHEMBL22639783 0.93 HTT (0.76) HTTHPGDDRD4DRD2NPC1
SCHEMBL5157052 0.89 HTT (0.84) HTTHPGDDRD4DRD2NPC1
SCHEMBL29368802 0.86 HTT (0.97) HTTHPGDDRD4DRD2NPC1
SCHEMBL12045417 0.86 HTT (0.97) HTTHPGDDRD4DRD2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259588-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-11-27 EP claimed
WO-2001064826-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO claimed
CN-1649992-A Detergent compositions and components thereof PROCTER & GAMBLE (US) 2005-08-03 CN disclosed
EP-1259588-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-11-27 EP disclosed
WO-2001064826-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO disclosed