SCHEMBL18286753

SCHEMBL18286753

NCCCC(C(=O)O)N(CCN)CCN(CC=O)CCN

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.33
GSR P00390 1/20 0.31
RNPEP Q9H4A4 1/20 0.30

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
SCHEMBL17872153 0.83 CPB2 (0.44) CPB2GSRRNPEP
SCHEMBL17872154 0.83 CPB2 (0.44) CPB2GSRRNPEP
SCHEMBL13540708 0.81 GSR (0.36) CPB2GSRRNPEP
SCHEMBL18752804 0.77 LMNA (0.42)
SCHEMBL20640380 0.75 GABRR1 (0.32) GSR
Bromide SCHEMBL20742988 0.73 GABRR1 (0.31)
SCHEMBL1114483 0.73 TDP1 (0.45) CPB2GSRRNPEP
SCHEMBL10066204 0.73 TDP1 (0.45) CPB2GSRRNPEP
SCHEMBL6859332 0.71 GSR (0.50) CPB2GSRRNPEP
SCHEMBL6859337 0.71 GSR (0.50) CPB2GSRRNPEP

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
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 EP disclosed