SCHEMBL4069510

SCHEMBL4069510

NC(=O)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C1(O)CCC(F)(F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.57
SLC15A1 P46059 1/20 0.39
CSNK1E P49674 1/20 0.39
LAP3 P28838 4/20 0.38
ANPEP P15144 2/20 0.38
EPHX1 P07099 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
REN P00797 2/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL7581428 1.00 CCR1 (0.57) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4063723 0.89 CCR1 (0.54) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4061000 0.88 CCR1 (0.48) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL7581508 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4065574 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4059666 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL6836076 0.88 CCR1 (0.56) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL2675868 0.87 CCR1 (0.48) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL2675827 0.87 CCR1 (0.48) CCR1SLC15A1CSNK1ELAP3ANPEP
SCHEMBL4071838 0.85 CCR1 (0.45) CCR1SLC15A1CSNK1ELAP3ANPEP

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-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