SCHEMBL8095865

SCHEMBL8095865

NC([C@@H](O)[C@@H](N)Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.46
CPA1 P15085 6/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
EPHX1 P07099 1/20 0.42
MMP2 P08253 1/20 0.42
LAP3 P28838 5/20 0.42
ANPEP P15144 2/20 0.42
CSNK1E P49674 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40

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
SCHEMBL8540021 0.83 SLC15A1 (0.49) SLC15A1CPA1ALPIPKMPTGS1
SCHEMBL14719648 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL9740410 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6446370 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6929688 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7144488 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6931887 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7190709 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6445044 0.80 EPHX1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6446300 0.80 EPHX1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059285-A2 Process for the preparation of 1,3-diamino-2-propanol and 1,3-diamino-2-propanone derivatives Pharm-Eco Laboratories, Inc. (US) 2000-12-13 EP disclosed