SCHEMBL6427435

SCHEMBL6427435

O=C(CBr)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.59
ACE P12821 7/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NAALAD2 Q9Y3Q0 1/20 0.56
FPR2 P25090 2/20 0.56
PTPN1 P18031 1/20 0.56
ECE1 P42892 1/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54

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
SCHEMBL6427433 1.00 MME (0.59) MMEACENPSR1NAALAD2FPR2
SCHEMBL10504767 0.84 ITGB3 (0.65) MMEACENPSR1NAALAD2ECE1
SCHEMBL6316065 0.84 MME (0.61) MMEACENPSR1NAALAD2FPR2
SCHEMBL1477208 0.84 ACE (0.62) MMEACENPSR1NAALAD2ECE1
SCHEMBL4144668 0.84 ITGB3 (0.65) MMEACENPSR1NAALAD2ECE1
SCHEMBL6316057 0.84 FPR2 (0.61) MMEACENPSR1NAALAD2FPR2
SCHEMBL4144665 0.84 ITGB3 (0.65) MMEACENPSR1NAALAD2ECE1
SCHEMBL14503222 0.84 ACE (0.62) MMEACENPSR1NAALAD2ECE1
SCHEMBL21777173 0.84 MME (0.61) MMEACENPSR1NAALAD2FPR2
SCHEMBL28593577 0.84 ACE (0.62) MMEACENPSR1NAALAD2ECE1

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
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 EP disclosed
US-5466801-A Process for the preparation of 3-, 6-substituted 2,5-morpholinediones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-11-14 US disclosed
EP-0322154-B1 Bioabsorbable polydepsipeptides, their preparation and use PFIZER (US) 1995-06-28 EP disclosed
WO-1994003441-A1 PROCESS FOR THE PREPARATION OF 3-, 6-SUBSTITUTED 2,5-MORPHOLINEDIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-17 WO disclosed
US-4994551-A Sutures PFIZER INC. (US) 1991-02-19 US disclosed
US-4916209-A SURGICAL SUTURES AND CLIPS PFIZER INC. (US) 1990-04-10 US disclosed
EP-0322154-A2 Bioabsorbable polydepsipeptides, their preparation and use PFIZER INC. (US) 1989-06-28 EP disclosed