SCHEMBL8075652

SCHEMBL8075652

COC(=O)[C@@H](O)[C@@H](N)CCCCNC(C)=N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
LTA4H P09960 1/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
RRM1 P23921 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
PAOX Q6QHF9 2/20 0.32
METAP2 P50579 2/20 0.32
EPHX1 P07099 1/20 0.31
IL1RN P18510 1/20 0.31
ERAP2 Q6P179 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
FAAH O00519 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
SCHEMBL8077588 1.00 DPP7 (0.34) DPP7GNAI3GNAO1GNAI1LTA4H
SCHEMBL8075669 0.84 FOLH1 (0.36) DPP7GNAI3GNAO1GNAI1ANPEP
SCHEMBL8077572 0.84 FOLH1 (0.36) DPP7GNAI3GNAO1GNAI1ANPEP
SCHEMBL14090886 0.83 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1KDM4E
SCHEMBL7974902 0.83 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1KDM4E
SCHEMBL8077675 0.80
SCHEMBL8068200 0.79 FAAH (0.35) DPP7GNAI3GNAO1GNAI1KDM4E
SCHEMBL8067728 0.79 FOLH1 (0.35) DPP7GNAI3GNAO1GNAI1ANPEP
SCHEMBL13430770 0.78 MEN1 (0.52) CA1CA2
SCHEMBL12619397 0.78 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749418-A1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-27 EP claimed
US-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
EP-0749418-B1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-08-30 EP disclosed
EP-0749418-A1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-27 EP disclosed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO disclosed