SCHEMBL4632200

SCHEMBL4632200

Cc1ccccc1CC(NC(=O)O)C(=O)Cc1ncccc1C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ANO1 Q5XXA6 2/20 0.42
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.35
CTSA P10619 1/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
CAPN1 P07384 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
SGMS2 Q8NHU3 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
SCHEMBL277941 0.90 ANO1 (0.39) SMN1; SMN2ANO1MAPK1KMT2AALDH1A1
SCHEMBL4632644 0.83 ITGB1 (0.42) SMN1; SMN2MAPTKMT2ACAPN1MEN1
SCHEMBL4837212 0.82 ANO1 (0.41) SMN1; SMN2ANO1
SCHEMBL4667376 0.82 ANO1 (0.45) SMN1; SMN2ANO1MAPTKMT2AALDH1A1
SCHEMBL277671 0.80 SMN1; SMN2 (0.40) SMN1; SMN2ANO1MAPTMAPK1HTT
SCHEMBL268422 0.79 CTSS (0.51) ANO1
SCHEMBL4599931 0.78 LMNA (0.42) SMN1; SMN2MAPTMAPK1KMT2AL3MBTL1
SCHEMBL270276 0.78 SMN1; SMN2 (0.42) SMN1; SMN2ANO1MAPTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL268093 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ANO1MAPTKMT2AL3MBTL1
SCHEMBL269166 0.76 ACE (0.40) SMN1; SMN2

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