SCHEMBL4600484

SCHEMBL4600484

CON(C)C(=O)[C@H](CNC(=O)OCc1ccccc1)c1cc(F)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.40
CTSS P25774 6/20 0.40
CTSL P07711 5/20 0.40
CTSB P07858 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4598809 1.00 CTSK (0.40) CTSKCTSSCTSLCTSBLMNA
SCHEMBL4600313 0.90 KCNA5 (0.41) CTSKCTSSCTSLCTSBLMNA
SCHEMBL5172763 0.83 MEN1 (0.47) CTSKCTSSCTSLCTSBLMNA
SCHEMBL22982284 0.83 MEN1 (0.47) CTSKCTSSCTSLCTSBLMNA
SCHEMBL23911895 0.79 CTSS (0.51) CTSKCTSSCTSLCTSBLMNA
SCHEMBL268808 0.75 CTSL (0.52) CTSKCTSSCTSLCTSBMEN1
SCHEMBL268807 0.75 CTSL (0.52) CTSKCTSSCTSLCTSBMEN1
SCHEMBL6468352 0.75 LMNA (0.50) CTSKCTSSCTSLCTSBLMNA
SCHEMBL4598534 0.74 MC4R (0.40) LMNAMEN1KMT2A
SCHEMBL19576429 0.73 TGM2 (0.45) CTSKCTSSCTSLCTSBLMNA

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-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed