SCHEMBL7694204

SCHEMBL7694204

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.60
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
LTA4H P09960 2/20 0.57
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ANPEP P15144 2/20 0.49
RNPEP Q9H4A4 2/20 0.49

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
SCHEMBL19465132 1.00 SLC15A1 (0.60) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7698190 0.86 LTA4H (0.59) LTA4H
SCHEMBL19465129 0.84 HDAC3 (0.58) SLC15A1ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL18497853 0.83 SLC7A5 (0.71) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL23762564 0.80 SLC15A1 (0.66) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7403915 0.80 SLC15A1 (0.71) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL12016556 0.80 SLC15A1 (0.66) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL883466 0.80 SLC15A1 (0.66) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL10582687 0.80 SLC15A1 (0.71) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL16513178 0.80 SLC15A1 (0.66) SLC15A1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed