SCHEMBL4068030

SCHEMBL4068030

N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](C(=O)NO)C1(O)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
CCR1 P32246 2/20 0.45
LAP3 P28838 2/20 0.40
ANPEP P15144 2/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
REN P00797 2/20 0.39
MMP8 P22894 2/20 0.39
SLC15A1 P46059 1/20 0.39
MME P08473 1/20 0.39
CSNK1E P49674 1/20 0.39

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
SCHEMBL4072357 0.99 CCR1 (0.46) MMP2MMP1MMP3CCR1LAP3
SCHEMBL2675827 0.90 CCR1 (0.48) MMP2MMP1MMP3CCR1LAP3
SCHEMBL2675868 0.90 CCR1 (0.48) MMP2MMP1MMP3CCR1LAP3
SCHEMBL7590174 0.88 MMP1 (0.40) MMP2MMP1MMP3CCR1LAP3
SCHEMBL2675968 0.88 MMP1 (0.40) MMP2MMP1MMP3CCR1LAP3
SCHEMBL4063723 0.86 CCR1 (0.54) MMP2MMP1MMP3CCR1LAP3
SCHEMBL6836076 0.85 CCR1 (0.56) MMP2MMP1MMP3CCR1LAP3
SCHEMBL4065574 0.85 CCR1 (0.56) MMP2MMP1MMP3CCR1LAP3
SCHEMBL4059666 0.85 CCR1 (0.56) MMP2MMP1MMP3CCR1LAP3
SCHEMBL7581508 0.85 CCR1 (0.56) MMP2MMP1MMP3CCR1LAP3

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