SCHEMBL3379248

SCHEMBL3379248

NCCCC(C(=O)O)N(Cl)Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.42
GSR P00390 1/20 0.41
RNPEP Q9H4A4 1/20 0.39
GABRR1 P24046 3/20 0.34
LMNA P02545 2/20 0.33
THRB P10828 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33
CYP1A2 P05177 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL3379250 1.00 CPB2 (0.42) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3379252 1.00 CPB2 (0.42) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3379367 0.94 GSR (0.48) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3379369 0.94 GSR (0.48) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3380824 0.83 CPB2 (0.45) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3378581 0.83 CPB2 (0.45) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3378577 0.83 CPB2 (0.45) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3380820 0.83 CPB2 (0.45) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3380827 0.83 CPB2 (0.45) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL3378573 0.83 CPB2 (0.45) CPB2GSRRNPEPGABRR1LMNA

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed