SCHEMBL470605

SCHEMBL470605

C[C@H](Oc1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
BTK Q06187 3/20 0.41
JAK3 P52333 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ACACB O00763 1/20 0.41
CTSK P43235 2/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MAP4K4 O95819 2/20 0.39
KDM4D Q6B0I6 2/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
PARP1 P09874 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL470599 0.86 GPR119 (0.43) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL12064784 0.82 GPR119 (0.43) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL470541 0.80 L3MBTL1 (0.46) CKS1BSKP1SKP2CTSK
SCHEMBL951251 0.78 PDE10A (0.50) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL31038865 0.78 PDE10A (0.50) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL31271961 0.78 PDE10A (0.50) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL951253 0.78 PDE10A (0.50) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL15191231 0.78 MAP4K4 (0.50) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL458009 0.78 DPP4 (0.35) ACACB
SCHEMBL18239342 0.77 GPR119 (0.55) PDE10ACKS1BSKP1SKP2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed