SCHEMBL7226973

SCHEMBL7226973

COC(=O)[C@H](CCCCN)NC(=O)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
LNPEP Q9UIQ6 4/20 0.51
EPOR P19235 2/20 0.50
ERAP2 Q6P179 2/20 0.50
ERAP1 Q9NZ08 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT3 Q9NTG7 2/20 0.45
TLR2 O60603 2/20 0.45
SSTR3 P32745 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4896764 0.87 SIRT2 (0.54) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL1840309 0.84 SIRT2 (0.61) ANPEPCA1CA2CPB1CPB2
SCHEMBL6477219 0.84 SIRT2 (0.61) ANPEPCA1CA2CPB1CPB2
SCHEMBL1840311 0.84 SIRT2 (0.61) ANPEPCA1CA2CPB1CPB2
Hydrochloric Acid SCHEMBL3952162 0.83 SIRT2 (0.60) ANPEPCA1CA2CPB1CPB2
Hydrochloric Acid SCHEMBL3952159 0.83 SIRT2 (0.60) ANPEPCA1CA2CPB1CPB2
Hydrochloric Acid SCHEMBL6528872 0.83 SIRT2 (0.60) ANPEPCA1CA2CPB1CPB2
SCHEMBL28859034 0.82 LNPEP (0.56) ANPEPLNPEPERAP2ERAP1
Charcoal, Activated SCHEMBL29433728 0.81 ANPEP (0.55) ANPEPLNPEPEPORERAP2ERAP1
SCHEMBL4905245 0.81 SIRT2 (0.51) CA1CA2SIRT2SIRT1SIRT3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576780-B1 Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors GD SEARLE & COMPANY 2003-06-10 US disclosed
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed
US-5981511-A AN ENZYME INHIBITOR FOR REDUCING NITRIC OXIDE, TREATING HYPOTENSION SUCH AS TOXIC SHOCK AND THERAPY WITH CERTAIN CYTOKINES G.D. SEARLE & CO. (US) 1999-11-09 US disclosed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed