SCHEMBL4066102

SCHEMBL4066102

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.45
CSNK1E P49674 1/20 0.44
APP P05067 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
SLC15A1 P46059 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
EPHX1 P07099 1/20 0.40
LAP3 P28838 2/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 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
SCHEMBL2675073 0.87 CCR1 (0.57) CCR1CSNK1EAPPPSEN1PSEN2
SCHEMBL4062972 0.84 SLC1A3 (0.53) CCR1CSNK1ESLC15A1SLC1A3SLC1A2
SCHEMBL6167499 0.81 CCR1 (0.57) CCR1CSNK1EAPPPSEN1PSEN2
SCHEMBL7580246 0.80 CCR1 (0.54) CCR1CSNK1EAPPPSEN1PSEN2
SCHEMBL6832228 0.80 CCR1 (0.54) CCR1CSNK1EAPPPSEN1PSEN2
SCHEMBL4063823 0.78 ERAP2 (0.48) CCR1CSNK1ESLC15A1SLC1A3SLC1A2
SCHEMBL4063681 0.78 CSNK1E (0.43) CCR1CSNK1ESLC15A1SLC1A3SLC1A2
SCHEMBL4068169 0.77 SLC1A3 (0.46) CCR1CSNK1ESLC15A1SLC1A3SLC1A2
SCHEMBL4066979 0.77 SLC1A3 (0.46) CCR1CSNK1ESLC15A1SLC1A3SLC1A2
SCHEMBL7436306 0.77 SLC1A3 (0.68) SLC15A1SLC1A3SLC1A2SLC1A1LAP3

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