SCHEMBL4632372

SCHEMBL4632372

Cc1ccc(F)c(CC(C(=O)CNC(=O)OC(C)(C)C)c2ncccc2C(=O)NC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
KDR P35968 2/20 0.34
FLT1 P17948 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
ANO1 Q5XXA6 4/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 1/20 0.33
SYK P43405 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
MET P08581 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4600646 0.92 SCN9A (0.41) SCN9ASMN1; SMN2ANO1CTSSCTSK
SCHEMBL4602360 0.92 ANO1 (0.41) SCN9ASMN1; SMN2ANO1MET
SCHEMBL4600968 0.90 ALOX5AP (0.37) SCN9ASMN1; SMN2ANO1ALOX5APFEN1
SCHEMBL4601576 0.90 CTSS (0.42) SCN9ASMN1; SMN2ANO1CTSSCTSK
SCHEMBL4632696 0.81 CTSS (0.44) SCN9ASMN1; SMN2CTSSCTSKLMNA
SCHEMBL4598164 0.79 CTSS (0.42) SCN9AANO1CTSSCTSKSYK
SCHEMBL4602131 0.79 KCNA5 (0.40) KDRSMN1; SMN2LMNA
SCHEMBL4837234 0.79 ANO1 (0.39) SMN1; SMN2ANO1
SCHEMBL4599064 0.78 POLB (0.34) ANO1CTSSCTSKSYK
SCHEMBL277718 0.78 SCN9A (0.41) SCN9ASMN1; SMN2ANO1CTSSCTSK

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