SCHEMBL4595299

SCHEMBL4595299

CC(C)COC(=O)N1CCC(C(O)CC#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
JAK2 O60674 3/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KIT P10721 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
MMP13 P45452 1/20 0.36
JAK1 P23458 2/20 0.36
MGLL Q99685 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4595366 0.83 RAB9A (0.43) RAB9AGAANOS3NOS2JAK2
SCHEMBL1693088 0.83 RAB9A (0.44) RAB9AGAANOS3NOS2JAK2
SCHEMBL4596054 0.82 GAA (0.45) RAB9AGAANOS3NOS2JAK2
SCHEMBL1834064 0.81 RAB9A (0.48) RAB9AGAANOS3NOS2THRB
SCHEMBL5310934 0.80 RAB9A (0.47) RAB9AGAANOS3NOS2JAK2
SCHEMBL4595962 0.80 GAA (0.43) RAB9AGAANOS3NOS2JAK2
SCHEMBL4595297 0.80 DPP4 (0.48) GPR119ALDH1A1
SCHEMBL13503893 0.79 RAB9A (0.49) RAB9AGAANOS3NOS2THRB
SCHEMBL5275189 0.76 RAB9A (0.43) RAB9AGAANOS3NOS2JAK2
SCHEMBL704010 0.76 RAB9A (0.51) RAB9AGAANOS3NOS2JAK2

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-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed