SCHEMBL4070362

SCHEMBL4070362

NC(=O)C(Cc1ccccc1O)CC(O)C(N)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CCR1 P32246 1/20 0.41
CSNK1E P49674 1/20 0.41
EPHX1 P07099 2/20 0.40
SLC7A5 Q01650 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 3/20 0.39
IL1RN P18510 2/20 0.39
F2 P00734 1/20 0.39
AKR1B1 P15121 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4062972 0.87 SLC1A3 (0.53) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4064381 0.86 SLC15A1 (0.41) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4070175 0.86 SLC15A1 (0.41) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4063681 0.86 CSNK1E (0.43) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4070564 0.86 SLC7A5 (0.39) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4061939 0.84 CSNK1E (0.40) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4063823 0.84 ERAP2 (0.48) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4063727 0.81 ANPEP (0.49) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4068169 0.80 SLC1A3 (0.46) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4066979 0.80 SLC1A3 (0.46) SLC15A1SLC1A3SLC1A2SLC1A1CCR1

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
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO disclosed