SCHEMBL5773953

SCHEMBL5773953

COc1cc(F)c2nccc(NC(=O)ON3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 10/20 0.53
KCNH2 Q12809 5/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
TACR1 P25103 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL13857005 0.89 SLC2A1 (0.55) SLC2A1KCNH2NOS3NOS1NOS2
SCHEMBL5797424 0.84 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL5775891 0.74 SLC2A1 (0.53) SLC2A1KCNH2
SCHEMBL13857009 0.73 SLC2A1 (0.65) SLC2A1KCNH2
SCHEMBL4270492 0.68 SLC2A1 (0.50) SLC2A1
SCHEMBL4270077 0.68 NTRK1 (0.44) NOS3NOS1NOS2
SCHEMBL14498791 0.68 KCNH2 (0.76) SLC2A1KCNH2
SCHEMBL14498817 0.67 KCNH2 (0.50) SLC2A1KCNH2
SCHEMBL5261779 0.67 KCNH2 (0.59) SLC2A1KCNH2
SCHEMBL5260210 0.67 PDGFRB (0.41) KCNH2

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