SCHEMBL8338430

SCHEMBL8338430

NC(=O)[C@H](CC1CCCC1)NC(=O)c1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.48
CNR1 P21554 1/20 0.47
GRN P28799 2/20 0.46
SORT1 Q99523 2/20 0.46
HPGDS O60760 1/20 0.45
MAPK11 Q15759 3/20 0.45
MAPK14 Q16539 3/20 0.45
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL8334677 0.72 LONP1 (0.63) CNR2CNR1CTSS
SCHEMBL8339907 0.72 CNR2 (0.54) CNR2CNR1MAPK11MAPK14
SCHEMBL4882767 0.72 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL8339604 0.72 F2R (0.59) CNR2CNR1GRNSORT1HPGDS
SCHEMBL8337771 0.71 CTSK (0.51) CNR2CNR1GRNSORT1HPGDS
SCHEMBL8336585 0.71 F2RL1 (0.66) CNR2CNR1
SCHEMBL13735669 0.71 MMP1 (0.47) CNR2CNR1GRNSORT1HPGDS
SCHEMBL8338450 0.71 LMNA (0.55) CNR2CNR1MAPK11MAPK14
SCHEMBL4552782 0.71 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL659350 0.70 ACACB (0.50) ROCK2ROCK1

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
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed