SCHEMBL8316490

SCHEMBL8316490

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(F)C1C#N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 3/20 0.50
ELANE P08246 2/20 0.43
TRPA1 O75762 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
PREP P48147 1/20 0.40
CMA1 P23946 4/20 0.39
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL5201667 0.81 DPP4 (0.50) CTSKCTSLCTSBCTSS
SCHEMBL5203358 0.80 CTSK (0.50) CTSKCTSLCTSBCTSSELANE
SCHEMBL14899491 0.77 CTSK (0.52) CTSKCTSLCTSBCTSSHDAC8
SCHEMBL3611500 0.77 CTSK (0.50) CTSKCTSLCTSBCTSSELANE
SCHEMBL22169449 0.77 CTSK (0.50) CTSKCTSLCTSBCTSSELANE
SCHEMBL14899603 0.76 DPP4 (0.55) CTSKCTSLCTSBCTSSHDAC8
SCHEMBL5201959 0.73 DPP4 (0.59) CTSKCTSLCTSBCTSS
SCHEMBL5202988 0.73 DPP4 (0.59) CTSKCTSLCTSBCTSS
SCHEMBL19981817 0.73 CTSK (0.57) CTSKCTSLCTSBCTSSELANE
SCHEMBL5203233 0.73 PIN1 (0.54) CTSKCTSLCTSBCTSSELANE

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-2004071454-A2 SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-08-26 WO disclosed