SCHEMBL8337771

SCHEMBL8337771

NC(=O)[C@H](CC1CCCC1)NC(=O)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.51
CNR2 P34972 11/20 0.47
CNR1 P21554 1/20 0.46
EPHX2 P34913 1/20 0.43
HPGDS O60760 1/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
POLB P06746 1/20 0.41
HSPA9 P38646 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40

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
SCHEMBL8337500 0.99 CTSK (0.53) CTSKCNR2CNR1EPHX2HPGDS
SCHEMBL7317710 0.78 CTSK (0.61) CTSKEPHX2POLBGRNSORT1
SCHEMBL7317703 0.78 CTSK (0.61) CTSKEPHX2POLBGRNSORT1
SCHEMBL8334677 0.74 LONP1 (0.63) CNR2CNR1
SCHEMBL8336585 0.72 F2RL1 (0.66) CNR2CNR1
SCHEMBL8338299 0.72 SMYD3 (0.47) CNR2CNR1HPGDSMAPK11MAPK14
SCHEMBL21162958 0.72 F2RL1 (0.68)
SCHEMBL21162774 0.72 F2RL1 (0.68)
SCHEMBL8339907 0.72 CNR2 (0.54) CNR2CNR1MAPK11MAPK14
SCHEMBL8338430 0.71 CNR2 (0.48) CTSKCNR2CNR1HPGDSMAPK11

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