SCHEMBL8077659

SCHEMBL8077659

CC(=N)NCCCC[C@H](N)C(O)CSCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
CSNK1E P49674 1/20 0.39
ALDH1A1 P00352 2/20 0.35
LAP3 P28838 3/20 0.35
REN P00797 2/20 0.35
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACE P12821 1/20 0.34
TLR2 O60603 1/20 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
SCHEMBL8082386 0.80 NOS2 (0.32)
SCHEMBL8082365 0.79 HPGD (0.41) CSNK1EALDH1A1LAP3RENANPEP
SCHEMBL8187966 0.78 CSNK1E (0.36) CSNK1EALDH1A1LAP3RENANPEP
Hydrochloric Acid SCHEMBL8080750 0.74 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL8080759 0.74 CA12 (0.37) CSNK1E
SCHEMBL6272634 0.72 NOS2 (0.50) LMNA
SCHEMBL6272635 0.72 NOS2 (0.50) LMNA
SCHEMBL8077802 0.72 MTNR1A (0.41)
SCHEMBL10722746 0.72 METAP2 (0.46) METAP2LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL8067658 0.71 NOS2 (0.49) LMNA

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 3 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 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