SCHEMBL8084430

SCHEMBL8084430

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.33
DPP7 Q9UHL4 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 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
SCHEMBL8067814 0.80 DPP7 (0.33) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL8075932 0.80 DPP7 (0.37) MEN1KMT2ADPP7SIRT6SIRT1
SCHEMBL18085377 0.79 KDM4E (0.41) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL8067951 0.79 DPP7 (0.47) DPP7SIRT6SIRT1GNAI3GNAO1
SCHEMBL24709517 0.78 EPHX1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL8077346 0.78 DPP7 (0.31) ALOX15DPP7SIRT6SIRT1GNAI3
SCHEMBL16138483 0.77 MEN1 (0.43) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Acetic Acid SCHEMBL10783904 0.76 MEN1 (0.43) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL8065975 0.75 ITGB3 (0.38) MEN1KMT2ADPP7SIRT6SIRT1
SCHEMBL7877053 0.74 DPP7 (0.34) DPP7SIRT6SIRT1GNAI3GNAO1

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