SCHEMBL4067461

SCHEMBL4067461

NC(=O)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.56
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.41
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
SLC15A1 P46059 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 2/20 0.40
CSNK1E P49674 1/20 0.40
METAP2 P50579 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
SCHEMBL6687785 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL2675154 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL7586283 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL27586171 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL4068618 0.99 CCR1 (0.55) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL4072849 0.88 CCR1 (0.57) CCR1EPHX1SLC15A1ANPEPCSNK1E
SCHEMBL4061506 0.88 LMNA (0.46) CCR1TDP1EPHX1SLC15A1ANPEP
SCHEMBL4065521 0.85 CCR1 (0.58) CCR1EPHX1SLC15A1ANPEPCSNK1E
SCHEMBL4066052 0.85 CCR1 (0.42) CCR1EPHX1SLC15A1ANPEPCSNK1E
SCHEMBL4065263 0.82 CCR1 (0.46) CCR1EPHX1SLC15A1ANPEPCSNK1E

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