SCHEMBL8766736

SCHEMBL8766736

CC(N)CNC(=O)CC(N)CCCN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.35
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
GSR P00390 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
RRM1 P23921 1/20 0.32
ENPEP Q07075 1/20 0.32
PAOX Q6QHF9 2/20 0.32
NMT2 O60551 1/20 0.32
NMT1 P30419 1/20 0.32
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL8766726 1.00 MMP2 (0.35) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL8766724 1.00 MMP2 (0.35) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL21973384 0.83 TP53 (0.39) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL2038497 0.82 GSR (0.36) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL2038493 0.82 GSR (0.36) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL8650037 0.80 GNAI3 (0.36) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL8647877 0.80 GNAI3 (0.39) GNAI3GNAO1GNAI1DPP7GSR
SCHEMBL8647885 0.80 GNAI3 (0.39) GNAI3GNAO1GNAI1DPP7GSR
SCHEMBL8650040 0.80 GNAI3 (0.36) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL31207217 0.75 GSR (0.45) MMP2GSRCPB2

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
EP-0777644-A1 D-B-LYSYLMETHANEDIAMINE DERIVATIVES WITH BACTERIA, AIDS VIRUS AND TUMOR CELL GROWTH INHIBITING ACTIVITY AND PREPARATION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-06-11 EP disclosed
WO-1996006069-A1 D-B-LYSYLMETHANEDIAMINE DERIVATIVES WITH BACTERIA, AIDS VIRUS AND TUMOR CELL GROWTH INHIBITING ACTIVITY AND PREPARATION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-02-29 WO disclosed