SCHEMBL6121880

SCHEMBL6121880

CC(C)CC(=O)NC1(c2ccc(N3C=CCC3)cc2)COC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 3/20 0.40
WDR91 A4D1P6 7/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.33
DPP4 P27487 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PHGDH O43175 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL23224231 0.64 PTGER4 (0.41) NAMPTDPP4LMNA
SCHEMBL28380433 0.63 LMNA (0.31) L3MBTL1MAPTLMNA
SCHEMBL23224234 0.62 NAMPT (0.39) NAMPTDPP4KDM4ELMNA
SCHEMBL23343882 0.62 POLB (0.43) ALDH1A1WDR91L3MBTL1MAPTGAA
SCHEMBL13680338 0.61 L3MBTL1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL20898569 0.60 WDR91 (0.39) NAMPTALDH1A1WDR91MEN1KMT2A
SCHEMBL20054162 0.58 PTPN1 (0.42) ALDH1A1KMT2AGAALMNA
SCHEMBL23224236 0.57 NAMPT (0.37) NAMPTALDH1A1DPP4LMNA
SCHEMBL20738519 0.56 ALDH1A1 (0.57) ALDH1A1WDR91MAPTKDM4ELMNA
SCHEMBL14045978 0.56 KMT2A (0.51) ALDH1A1MEN1KMT2AL3MBTL1MAPT

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-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP claimed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed