SCHEMBL8067728

SCHEMBL8067728

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 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
PAOX Q6QHF9 2/20 0.32
METAP2 P50579 1/20 0.32
OTC P00480 1/20 0.31
ADRA1A P35348 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 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
SCHEMBL8075669 0.91 FOLH1 (0.36) FOLH1DPP7GNAI3GNAO1GNAI1
SCHEMBL8077572 0.91 FOLH1 (0.36) FOLH1DPP7GNAI3GNAO1GNAI1
SCHEMBL8077917 0.81 TRPV1 (0.31) DPP7GNAI3GNAO1GNAI1
Water SCHEMBL8068168 0.80 TRPV1 (0.31) DPP7
L-Nil SCHEMBL31540966 0.79 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1OTC
L-Nil SCHEMBL322091 0.79 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1OTC
L-Nil SCHEMBL934874 0.79 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL8077588 0.79 DPP7 (0.34) DPP7GNAI3GNAO1GNAI1ANPEP
SCHEMBL8075652 0.79 DPP7 (0.34) DPP7GNAI3GNAO1GNAI1ANPEP
Hydrochloric Acid SCHEMBL8051179 0.78

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

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