SCHEMBL5773652

SCHEMBL5773652

COc1cccc2c([C@@H](O)CN3CCC(NCc4nc5ccccc5s4)CC3)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.47
KCNH2 Q12809 2/20 0.44
SSTR5 P35346 4/20 0.41
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL5776996 0.91 SLC2A1 (0.54) SLC2A1KCNH2DRD2DRD4DRD3
SCHEMBL5773815 0.84 SLC2A1 (0.45) SLC2A1KCNH2SIGMAR1
SCHEMBL4276780 0.84 SLC2A1 (0.65) SLC2A1KCNH2DRD2DRD4DRD3
SCHEMBL5775396 0.84 KCNH2 (0.49) SLC2A1KCNH2DRD2DRD3SIGMAR1
SCHEMBL5777366 0.84 LMNA (0.47) SLC2A1KCNH2DRD2DRD4DRD3
SCHEMBL5772116 0.84 SLC2A1 (0.48) SLC2A1KCNH2DRD2DRD3MAPT
SCHEMBL5772802 0.83 SLC2A1 (0.48) SLC2A1KCNH2DRD2DRD4NPC1
SCHEMBL5775045 0.80 KCNH2 (0.52) SLC2A1KCNH2DRD2DRD3SIGMAR1
SCHEMBL5778699 0.80 SLC2A1 (0.58) SLC2A1KCNH2DRD2DRD3MAPT
SCHEMBL5777778 0.80 SLC2A1 (0.47) SLC2A1KCNH2DRD2DRD4DRD3

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
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed