SCHEMBL5133736

SCHEMBL5133736

O=C(C1CC1)N(CC1CCCC[C@H]1O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.36
GHSR Q92847 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
CYP3A4 P08684 2/20 0.34
SLC18A3 Q16572 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33

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
SCHEMBL5305249 0.72 CNR2 (0.51) CNR2HTTALDH1A1NR1H4CNR1
SCHEMBL4961973 0.69 CHRM2 (0.49) CNR2HTTALDH1A1POLBMAPT
SCHEMBL4961925 0.68 CNR2 (0.47) CNR2HTTNR1H4CNR1CYP3A4
SCHEMBL4966178 0.68 CNR2 (0.60) CNR2HTTNR1H4CNR1MAPT
SCHEMBL6420648 0.67 HTT (0.43) CNR2HTTALDH1A1CNR1POLB
SCHEMBL3916812 0.67 PDK2 (0.59) CNR2HTTALDH1A1POLBPDK2
SCHEMBL5131364 0.67 PTGS1 (0.53) POLBSLC18A3RAB9ALMNA
SCHEMBL5086341 0.67 CNR2 (0.56) CNR2CNR1POLBSMN1; SMN2PDK2
SCHEMBL6425135 0.67 CNR2 (0.52) CNR2ALDH1A1NR1H4CNR1POLB
SCHEMBL4961889 0.67 HTT (0.51) CNR2HTTALDH1A1NR1H4CNR1

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 disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed