SCHEMBL7370919

SCHEMBL7370919

NC(CCCCBr)B(O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.48
ANPEP P15144 1/20 0.37
ARG1 P05089 3/20 0.30
ARG2 P78540 3/20 0.30

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
SCHEMBL7442710 1.00 NOS2 (0.48) NOS2ANPEPARG1ARG2
Hydrochloric Acid SCHEMBL7373039 0.98 NOS2 (0.47) NOS2ANPEPARG2
Hydrochloric Acid SCHEMBL8832387 0.98 NOS2 (0.47) NOS2ANPEPARG2
SCHEMBL7374183 0.92
SCHEMBL7373861 0.92
Hydrochloric Acid SCHEMBL7721003 0.90 NOS2 (0.48) NOS2ANPEP
Hydrochloric Acid SCHEMBL7371540 0.90 NOS2 (0.48) NOS2ANPEP
SCHEMBL21067370 0.77 NOS2 (0.50) NOS2ANPEP
SCHEMBL21067372 0.77 NOS2 (0.50) NOS2ANPEP
SCHEMBL7131728 0.70

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
US-6060462-A Electrophilic peptide analogs as inhibitors of trypsin-like enzymes DUPONT PHARMACEUTICALS COMPANY (US) 2000-05-09 US disclosed
US-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US disclosed
EP-0724446-A4 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES DU PONT MERCK PHARMA (US) 1998-01-07 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed
EP-0724446-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-07 EP disclosed
WO-1995009634-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO disclosed