SCHEMBL3948254

SCHEMBL3948254

NCCCC(O)[C@@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
CPB2 Q96IY4 4/20 0.47
RNPEP Q9H4A4 1/20 0.43
USP2 O75604 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
GABRR1 P24046 3/20 0.38
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL2824475 1.00 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL16732008 1.00 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL503258 1.00 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL358290 1.00 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL16760214 0.98 GSR (0.48) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL16760213 0.98 GSR (0.48) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL7107024 0.96 GSR (0.47) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL751303 0.96 GSR (0.47) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL16731992 0.86 USP2 (0.46) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL2482513 0.86 USP2 (0.46) GSRCPB2RNPEPUSP2SLCO1B1

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-2009021289-A1 POTASSIUM CHANNEL INHIBITORS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-02-19 WO claimed
WO-2009021289-A1 POTASSIUM CHANNEL INHIBITORS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-02-19 WO disclosed