SCHEMBL463076

SCHEMBL463076

CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
S1PR1 P21453 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
NTRK1 P04629 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
JAK1 P23458 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
PDE4B Q07343 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
AKT1 P31749 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
CYP3A4 P08684 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
SCHEMBL463075 1.00 KMT2A (0.47) KMT2AL3MBTL1S1PR1SIGMAR1NTRK1
SCHEMBL461319 0.88 KMT2A (0.46) KMT2AL3MBTL1UBE2MDCUN1D1JAK1
SCHEMBL463216 0.88 KMT2A (0.46) KMT2AL3MBTL1UBE2MDCUN1D1JAK1
SCHEMBL15716485 0.85 KMT2A (0.52) KMT2AL3MBTL1NTRK1JAK1DRD2
SCHEMBL13858620 0.85 KMT2A (0.52) KMT2AL3MBTL1NTRK1JAK1DRD2
SCHEMBL13858621 0.85 KMT2A (0.52) KMT2AL3MBTL1NTRK1JAK1DRD2
SCHEMBL16780873 0.85 KMT2A (0.52) KMT2AL3MBTL1NTRK1JAK1DRD2
SCHEMBL13326832 0.83 UBE2M (0.50) KMT2AL3MBTL1NTRK1UBE2MDCUN1D1
SCHEMBL28046375 0.82 KMT2A (0.45) KMT2AL3MBTL1SIGMAR1NTRK1JAK1
SCHEMBL7835003 0.81 KMT2A (0.55) KMT2AL3MBTL1S1PR1SIGMAR1UBE2M

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