SCHEMBL17642008

SCHEMBL17642008

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
RNPEP Q9H4A4 1/20 0.43
CPB2 Q96IY4 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ENPEP Q07075 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
DPP7 Q9UHL4 4/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLG P00747 1/20 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
SCHEMBL11158148 1.00 GSR (0.50) GSRRNPEPCPB2MAOAMAOB
SCHEMBL31396832 0.93 GSR (0.41) GSRRNPEPCPB2MAOAMAOB
SCHEMBL14363914 0.93 GSR (0.41) GSRRNPEPCPB2MAOAMAOB
SCHEMBL1046120 0.83
SCHEMBL289144 0.82 GSR (0.56) GSRRNPEPCPB2ENPEPCYP2D6
SCHEMBL30514395 0.82 GSR (0.56) GSRRNPEPCPB2ENPEPCYP2D6
SCHEMBL284983 0.82 GSR (0.56) GSRRNPEPCPB2ENPEPCYP2D6
Urea SCHEMBL219080 0.81 GSR (0.54) GSRRNPEPCPB2ENPEPGNAI3
Hydrochloric Acid SCHEMBL1051275 0.81 GABRR1 (0.36) GSRBLMALOX15KMT2A
SCHEMBL2076473 0.81 MAOA (0.52) GSRMAOAMAOBGNAI3GNAO1

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
WO-2016046409-A1 NOVEL PEPTIDE DERIVATIVES AND USES THEREOF NOSOPHARM (FR) 2016-03-31 WO disclosed