SCHEMBL6249405

SCHEMBL6249405

NCCCCCC(C(=O)O)c1c[nH]cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.55
CPB1 P15086 3/20 0.52
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
TBXAS1 P24557 2/20 0.33
SLC15A2 Q16348 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 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
SCHEMBL7257200 0.98 CPB2 (0.54) CPB2CPB1GSRRNPEPSLC15A2
SCHEMBL6253224 0.94 CPB2 (0.52) CPB2CPB1GSRRNPEP
SCHEMBL6253319 0.80 CPB2 (0.56) CPB2CPB1
SCHEMBL7256094 0.80 CPB2 (0.38) CPB2CPB1
Hydrochloric Acid SCHEMBL2093985 0.80 CPB2 (0.36) CPB2CPB1
SCHEMBL1164849 0.78 CHRM1 (0.39) CPB2CPB1
SCHEMBL7256281 0.78 CPB2 (0.56) CPB2CPB1
Hydrochloric Acid SCHEMBL7256294 0.77 CPB2 (0.54) CPB2CPB1
SCHEMBL7257171 0.76 CPB2 (0.57) CPB2CPB1
SCHEMBL17846594 0.74 L3MBTL1 (0.39) CPB2CPB1

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
WO-2005051384-A1 STABILISED PHARMACEUTICAL COMPOSITIONS PFIZER LIMITED (GB) 2005-06-09 WO claimed
WO-2005051384-A1 STABILISED PHARMACEUTICAL COMPOSITIONS PFIZER LIMITED (GB) 2005-06-09 WO disclosed
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed