SCHEMBL8080665

SCHEMBL8080665

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.33
DPP7 Q9UHL4 1/20 0.31
TP53 P04637 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
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
SCHEMBL6272635 0.81 NOS2 (0.50) NOS2DPP7TP53GNAI3GNAO1
SCHEMBL6272634 0.81 NOS2 (0.50) NOS2DPP7TP53GNAI3GNAO1
Hydrochloric Acid SCHEMBL8067658 0.80 NOS2 (0.49) NOS2DPP7TP53
SCHEMBL8082627 0.77 NOS2 (0.34) NOS2DPP7GNAI3GNAO1GNAI1
SCHEMBL8082365 0.77 HPGD (0.41)
SCHEMBL8082630 0.77 NOS2 (0.33) NOS2
SCHEMBL8068200 0.77 FAAH (0.35) NOS2DPP7TP53GNAI3GNAO1
Water SCHEMBL8082590 0.76 NOS2 (0.33) NOS2DPP7GNAI3GNAO1GNAI1
SCHEMBL8068197 0.75 NOS2 (0.41) NOS2TP53
SCHEMBL8075669 0.75 FOLH1 (0.36) NOS2DPP7GNAI3GNAO1GNAI1

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
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
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