SCHEMBL4962835

SCHEMBL4962835

O=C(C1CC1)N(CCOc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PTGIR P43119 3/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GHSR Q92847 1/20 0.43
CNR2 P34972 1/20 0.42
ACHE P22303 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4962270 0.81 HTT (0.49) HTTPPARGPPARAMEN1KMT2A
SCHEMBL4969869 0.78 HTT (0.63) HTTPTGIRMEN1KMT2ACNR2
SCHEMBL18930513 0.76 HTT (0.73) HTTMEN1KMT2AACHESMN1; SMN2
SCHEMBL4681779 0.76 PPARG (0.70) PPARGPPARAMEN1KMT2A
SCHEMBL4681771 0.76 PPARG (0.70) PPARGPPARAMEN1KMT2A
SCHEMBL4963023 0.74 HTT (0.54) HTTNPC1RAB9ACNR2SMN1; SMN2
SCHEMBL4076343 0.74 KDM4E (0.50) HTTMEN1KMT2APKMSMN1; SMN2
SCHEMBL4963412 0.73 HTT (0.55) HTTMEN1KMT2AGHSRCNR2
SCHEMBL17842272 0.73 MEN1 (0.43) NPC1RAB9APPARGPPARAMEN1
SCHEMBL17842582 0.73 MEN1 (0.43) NPC1RAB9APPARGPPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed