SCHEMBL4597242

SCHEMBL4597242

CON(C)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
MC4R P32245 1/20 0.42
SYK P43405 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
PCSK9 Q8NBP7 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
DRD2 P14416 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
SCN9A Q15858 1/20 0.35
KDM4A O75164 1/20 0.35
SERPINE1 P05121 1/20 0.35
OPRM1 P35372 1/20 0.35
PTPN1 P18031 1/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4601407 0.87 GPR119 (0.38) JAK3BTKSYKCTSSCTSK
SCHEMBL4597306 0.87 GPR119 (0.38) JAK3BTKSYKCTSSCTSK
SCHEMBL4601097 0.86 IDO1 (0.38) JAK3BTKSYKDRD2AAK1
SCHEMBL4598344 0.85 SERPINE1 (0.38) JAK3BTKSYKCTSSCTSK
SCHEMBL4598534 0.84 MC4R (0.40) MC4ROPRM1ALDH1A1LMNA
SCHEMBL3719532 0.83 JAK3 (0.47) JAK3BTKSYKCTSSCTSK
SCHEMBL6162860 0.83 JAK3 (0.47) JAK3BTKSYKCTSSCTSK
SCHEMBL4602033 0.81 JAK3 (0.37) JAK3BTKSYKCTSSCTSK
SCHEMBL4601963 0.81 JAK3 (0.38) JAK3BTKSYKMALT1PCSK9
SCHEMBL4600183 0.81 MC4R (0.42) MC4RSYKCTSSCTSKMALT1

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 4 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
EP-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed