SCHEMBL4065263

SCHEMBL4065263

CC1CC(C)CC([C@@H](C[C@H](O)[C@@H](N)Cc2ccccc2)C(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.46
CSNK1E P49674 1/20 0.41
SLC15A1 P46059 1/20 0.39
LAP3 P28838 2/20 0.38
EPHX1 P07099 1/20 0.38
ANPEP P15144 1/20 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
HPGD P15428 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL4068034 0.88 CCR1 (0.58) CCR1CSNK1ESLC15A1LAP3EPHX1
SCHEMBL4068618 0.84 CCR1 (0.55) CCR1CSNK1ESLC15A1EPHX1ALPI
SCHEMBL4061506 0.83 LMNA (0.46) CCR1CSNK1ESLC15A1LAP3EPHX1
SCHEMBL27586171 0.82 CCR1 (0.56) CCR1CSNK1ESLC15A1EPHX1ANPEP
SCHEMBL4067461 0.82 CCR1 (0.56) CCR1CSNK1ESLC15A1EPHX1ANPEP
SCHEMBL2675154 0.82 CCR1 (0.56) CCR1CSNK1ESLC15A1EPHX1ANPEP
SCHEMBL7586283 0.82 CCR1 (0.56) CCR1CSNK1ESLC15A1EPHX1ANPEP
SCHEMBL6687785 0.82 CCR1 (0.56) CCR1CSNK1ESLC15A1EPHX1ANPEP
SCHEMBL4066052 0.82 CCR1 (0.42) CCR1CSNK1ESLC15A1LAP3EPHX1
SCHEMBL4060676 0.81 CCR1 (0.60) CCR1CSNK1ESLC15A1LAP3EPHX1

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