SCHEMBL4963897

SCHEMBL4963897

CN1CCN(c2ccc(C3(C(=O)N[C@H]4CC[C@H](O)CC4)CC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.43
ROS1 P08922 4/20 0.43
FLT3 P36888 4/20 0.43
EML4 Q9HC35 2/20 0.43
ALK Q9UM73 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC3 O15379 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK14 Q16539 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
PIN1 Q13526 1/20 0.40
BRD4 O60885 2/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 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
SCHEMBL4963132 0.86 L3MBTL1 (0.49) ALDH1A1CYP3A4LMNASMN1; SMN2
SCHEMBL4963137 0.86 L3MBTL1 (0.49) ALDH1A1CYP3A4LMNASMN1; SMN2
SCHEMBL4964821 0.84 MAPT (0.51) ALDH1A1LMNASMN1; SMN2
SCHEMBL4964826 0.84 MAPT (0.51) ALDH1A1LMNASMN1; SMN2
SCHEMBL4964872 0.77 HDAC4 (0.51) NPC1RAB9ALMNA
SCHEMBL31430188 0.76 FPR2 (0.58) ALDH1A1
SCHEMBL4964952 0.71 PDK2 (0.45) ALKALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4964877 0.71 PDK2 (0.45) ALKALDH1A1CYP3A4SMN1; SMN2
SCHEMBL25975350 0.68 OPRM1 (0.44) ALDH1A1
SCHEMBL22816718 0.68 ESR2 (0.50) ALDH1A1CYP3A4HDAC3HDAC8NPC1

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