SCHEMBL4602131

SCHEMBL4602131

CC(C)(C)NC(=O)c1cccnc1[C@@H](Cc1cc(F)c(F)cc1F)C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.40
KCNK3 O14649 1/20 0.36
KCNA3 P22001 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
DPP4 P27487 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 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
SCHEMBL4600174 0.85 KCNA5 (0.39) KCNA5KCNK3KCNA3SMN1; SMN2KDR
SCHEMBL4600172 0.85 KCNA5 (0.39) KCNA5KCNK3KCNA3SMN1; SMN2KDR
SCHEMBL4601576 0.80 CTSS (0.42) KCNA5SMN1; SMN2L3MBTL1TSHRRAB9A
SCHEMBL4600646 0.79 SCN9A (0.41) SMN1; SMN2LMNA
SCHEMBL269619 0.79 ITGB3 (0.39) KCNA5
SCHEMBL4632372 0.79 SCN9A (0.35) SMN1; SMN2KDRLMNA
SCHEMBL4602360 0.79 ANO1 (0.41) SMN1; SMN2
SCHEMBL4600968 0.77 ALOX5AP (0.37) SMN1; SMN2
SCHEMBL268081 0.77 TRPM8 (0.38) KCNA5SMN1; SMN2L3MBTL1TSHRCASP3
SCHEMBL268080 0.77 TRPM8 (0.38) KCNA5SMN1; SMN2L3MBTL1TSHRCASP3

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