SCHEMBL8082365

SCHEMBL8082365

CC(=N)NCCCC[C@H](N)C(O)CS(=O)(=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
CSNK1E P49674 1/20 0.37
LAP3 P28838 3/20 0.36
ANPEP P15144 2/20 0.36
RNPEP Q9H4A4 2/20 0.36
DNPEP Q9ULA0 2/20 0.36
REN P00797 2/20 0.36
TLR2 O60603 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

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
SCHEMBL8077659 0.79 METAP2 (0.39) HPGDCSNK1ELAP3ANPEPRNPEP
SCHEMBL8080665 0.77 NOS2 (0.33)
SCHEMBL8187966 0.76 CSNK1E (0.36) HPGDCSNK1ELAP3ANPEPRNPEP
SCHEMBL8080759 0.75 CA12 (0.37) CSNK1E
Hydrochloric Acid SCHEMBL8080750 0.73 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL6272634 0.71 NOS2 (0.50) HTT
SCHEMBL6272635 0.71 NOS2 (0.50) HTT
SCHEMBL8077802 0.70 MTNR1A (0.41)
Hydrochloric Acid SCHEMBL8067658 0.70 NOS2 (0.49) HTT
SCHEMBL8082380 0.69 HDAC7 (0.34) CSNK1E

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