SCHEMBL8077346

SCHEMBL8077346

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

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.31
TP53 P04637 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
PCNA P12004 1/20 0.30
ALOX15 P16050 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
SCHEMBL2514613 0.78 CYP2D6 (0.33) DPP7PCNA
SCHEMBL8084430 0.78 MEN1 (0.36) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL8067814 0.75 DPP7 (0.33) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL8075932 0.75 DPP7 (0.37) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL18085377 0.74 KDM4E (0.41) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL8067951 0.74 DPP7 (0.47) DPP7TP53SIRT6SIRT1GNAI3
SCHEMBL18125253 0.73 TP53 (0.38) DPP7TP53PCNA
SCHEMBL8065975 0.73 ITGB3 (0.38) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL8080665 0.73 NOS2 (0.33) DPP7TP53GNAI3GNAO1GNAI1
SCHEMBL8084631 0.71 GRIA1 (0.34) TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861231-B1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASEINHIBITORS SEARLE & CO (US) 2000-11-08 EP claimed
EP-0861231-B1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASEINHIBITORS SEARLE & CO (US) 2000-11-08 EP disclosed
EP-0861231-A1 L-N?6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
WO-1997010204-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-03-20 WO disclosed