SCHEMBL4450314

SCHEMBL4450314

CCC1(C(=O)OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.42
NMBR P28336 1/20 0.39
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL1448716 0.90 TACR1 (0.41) SIRT2NMBR
SCHEMBL1448717 0.77 LMNA (0.41) SIRT2ALDH1A1LMNAMEN1KMT2A
SCHEMBL3573464 0.76 SIRT2 (0.49) SIRT2NMBRALDH1A1MEN1KMT2A
Alcohol SCHEMBL6432975 0.75 SIRT2 (0.47) SIRT2NMBRALDH1A1
SCHEMBL4301302 0.72 TACR1 (0.42) SIRT2
SCHEMBL7713289 0.72 SIRT2 (0.46) SIRT2NMBRALDH1A1
SCHEMBL29221136 0.71 ALDH1A1 (0.33) ALDH1A1LMNAMEN1KMT2A
SCHEMBL23278623 0.70 SIRT2 (0.46) SIRT2NMBRLMNA
SCHEMBL14901171 0.70 SIRT2 (0.46) SIRT2NMBR
SCHEMBL6777569 0.69 SIRT2 (0.48) SIRT2NMBRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed