SCHEMBL5749568

SCHEMBL5749568

COc1ccc2nccc(NCC3(O)CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.40
TBK1 Q9UHD2 3/20 0.40
ACHE P22303 2/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
MAP4K4 O95819 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
NAMPT P43490 2/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL5748379 0.84 KCNH2 (0.51) KCNH2TBK1ACHEJAK2JAK1
SCHEMBL3960269 0.83 KCNH2 (0.41) KCNH2TBK1JAK2JAK1MAP4K4
SCHEMBL5748598 0.83 KCNH2 (0.44) KCNH2TBK1ACHEJAK2JAK1
SCHEMBL5747110 0.83 KCNH2 (0.44) KCNH2TBK1ACHEJAK2JAK1
SCHEMBL1224264 0.81 MAP4K4 (0.42) TBK1ACHEJAK2JAK1MAP4K4
SCHEMBL5775818 0.81 MAP4K4 (0.45) KCNH2TBK1ACHEMAP4K4CCNC
SCHEMBL5801155 0.80 KCNH2 (0.42) KCNH2TBK1JAK2JAK1MAP4K4
SCHEMBL5751526 0.78 KCNH2 (0.42) KCNH2
SCHEMBL3956506 0.77 MAP4K4 (0.39) TBK1ACHEJAK2JAK1MAP4K4
SCHEMBL5750917 0.76 KCNH2 (0.41) KCNH2TBK1JAK2JAK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed