SCHEMBL28800255

SCHEMBL28800255

NCCCCC(N)C(=O)Br

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.64
RNPEP Q9H4A4 1/20 0.45
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
DPP7 Q9UHL4 9/20 0.43
DPP8 Q6V1X1 5/20 0.43
DPP9 Q86TI2 5/20 0.43
DPP4 P27487 3/20 0.43
CPB2 Q96IY4 2/20 0.41
FAP Q12884 1/20 0.39
MMP2 P08253 1/20 0.38
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38

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
SCHEMBL8936119 1.00 GSR (0.64) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL221848 0.93
SCHEMBL9915164 0.80 GSR (0.70) GSRRNPEPGNAI3GNAO1GNAI1
Lysine SCHEMBL27135893 0.79 GSR (0.80) GSRRNPEPCPB2ARG1ARG2
SCHEMBL363001 0.78 GSR (0.67) GSRRNPEPGNAI3GNAO1GNAI1
Lysine SCHEMBL12867528 0.78 GSR (1.00) GSRRNPEPCPB2ARG1ARG2
SCHEMBL1129351 0.78 GSR (0.67) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL5498760 0.78 GSR (0.67) GSRRNPEPGNAI3GNAO1GNAI1
Lysine SCHEMBL8613373 0.78 GSR (1.00) GSRRNPEPCPB2ARG1ARG2
Lysine SCHEMBL20362357 0.78 GSR (1.00) GSRRNPEPCPB2ARG1ARG2

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
CN-102839497-A Silk fibroin peptide chain-containing AlaGlyAlaGly polyurethane fiber film and preparation method thereof UNIV WUHAN TEXTILE 2012-12-26 CN disclosed