SCHEMBL4554043

SCHEMBL4554043

CC(C)(C)OC(=O)NC[C@H]1CN(CC2CCc3c(F)cnc4ccc(=O)n2c34)C[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
CCRL2 O00421 1/20 0.32
SPR P35270 2/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
GFER P55789 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
EEF2K O00418 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL3613304 0.89 KCNH2 (0.33)
SCHEMBL3602018 0.84 KCNH2 (0.30)
SCHEMBL3615396 0.76 JAK2 (0.32) JAK2JAK1
SCHEMBL3614123 0.76 KCNH2 (0.48)
SCHEMBL13404504 0.76 KCNH2 (0.48)
SCHEMBL13315181 0.76 KCNH2 (0.49) DRD2CKS1BSKP1SKP2CCRL2
Hydrochloric Acid SCHEMBL3609365 0.76 KCNH2 (0.47)
SCHEMBL3609669 0.76 KCNH2 (0.33)
Trifluoroacetic Acid SCHEMBL3611349 0.74 DPP4 (0.37)
SCHEMBL3613496 0.74 KCNH2 (0.34)

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
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed