SCHEMBL4600313

SCHEMBL4600313

CON(C)C(=O)[C@H](CNC(=O)OCc1ccccc1)c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
CTSK P43235 3/20 0.39
CTSS P25774 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
OPRK1 P41145 1/20 0.39
MGLL Q99685 1/20 0.39
CASP3 P42574 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 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
SCHEMBL4600484 0.90 CTSK (0.40) CA1CA2ACHELMNASMN1; SMN2
SCHEMBL4598809 0.90 CTSK (0.40) CA1CA2ACHELMNASMN1; SMN2
SCHEMBL22982284 0.82 MEN1 (0.47) LMNASMN1; SMN2CTSKCTSSCTSL
SCHEMBL5172763 0.82 MEN1 (0.47) LMNASMN1; SMN2CTSKCTSSCTSL
SCHEMBL4601407 0.81 GPR119 (0.38) CTSKCTSSSYK
SCHEMBL270533 0.78 CTSL (0.50) CTSKCTSSCTSLCTSBMEN1
SCHEMBL23911895 0.77 CTSS (0.51) LMNASMN1; SMN2CTSKCTSSCTSL
SCHEMBL4598534 0.75 MC4R (0.40) LMNAMEN1KMT2A
SCHEMBL6468352 0.73 LMNA (0.50) KCNA5LMNASMN1; SMN2MAPTCTSK
SCHEMBL4597242 0.72 JAK3 (0.42) LMNACTSKCTSSSYK

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