SCHEMBL8082630

SCHEMBL8082630

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.33

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 0.84 FAAH (0.35) NOS2
SCHEMBL6272635 0.82 NOS2 (0.50) NOS2
SCHEMBL6272634 0.82 NOS2 (0.50) NOS2
SCHEMBL8077675 0.81
Hydrochloric Acid SCHEMBL8067658 0.81 NOS2 (0.49) NOS2
SCHEMBL8082627 0.78 NOS2 (0.34) NOS2
SCHEMBL8080665 0.77 NOS2 (0.33) NOS2
SCHEMBL8077588 0.77 DPP7 (0.34)
SCHEMBL8075652 0.77 DPP7 (0.34)
Water SCHEMBL8082590 0.77 NOS2 (0.33) NOS2

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
US-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US 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