SCHEMBL8082347

SCHEMBL8082347

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 1/20 0.36
ABCB1 P08183 1/20 0.33
FAAH O00519 1/20 0.33
DPP7 Q9UHL4 2/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 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
SCHEMBL8068200 0.83 FAAH (0.35) FAAHDPP7GNAI3GNAO1GNAI1
SCHEMBL8075652 0.74 DPP7 (0.34) FAAHDPP7GNAI3GNAO1GNAI1
SCHEMBL8077588 0.74 DPP7 (0.34) FAAHDPP7GNAI3GNAO1GNAI1
SCHEMBL14090886 0.72 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1MAPK1
SCHEMBL7974902 0.72 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1MAPK1
SCHEMBL8082176 0.71 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1MAPK1
SCHEMBL7911960 0.71 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1MAPK1
SCHEMBL8077572 0.71 FOLH1 (0.36) DPP7GNAI3GNAO1GNAI1MAPK1
SCHEMBL8075669 0.71 FOLH1 (0.36) DPP7GNAI3GNAO1GNAI1MAPK1
SCHEMBL8077675 0.70

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 6 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
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