SCHEMBL3910231

SCHEMBL3910231

CC(N)CC(NC(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.41
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SLC7A5 Q01650 2/20 0.39
MAPT P10636 2/20 0.39
PTGS1 P23219 1/20 0.39
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 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
SCHEMBL3914911 0.81 SLC1A2 (0.37) SLC1A3SLC1A2SLC1A1ALDH1A1SLC7A5
SCHEMBL4595646 0.78 MME (0.34) ALDH1A1FOLH1NAALAD2MEN1LMNA
SCHEMBL793417 0.77 GABRR1 (0.33) SLC1A3SLC1A2SLC1A1ALDH1A1SLC7A5
SCHEMBL1132971 0.75 MEN1 (0.31) MEN1KMT2A
SCHEMBL1069360 0.74 OR51E2 (0.33) LMNA
SCHEMBL1529741 0.74 GRM2 (0.41) LMNA
SCHEMBL23855055 0.74 TGFBR1 (0.36) ALDH1A1MAPTFOLH1NAALAD2
SCHEMBL394954 0.74 TGFBR1 (0.36) ALDH1A1MAPTFOLH1NAALAD2
SCHEMBL25354729 0.74 GABRP (0.39) LAP3SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL657408 0.73 GABRR1 (0.45) ALDH1A1MAPTPTGS1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797065-A4 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
EP-1797065-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed