SCHEMBL7687929

SCHEMBL7687929

CC(C)(O)CC[C@H](C[C@@H](O)[CH]Cc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.42
CHRM2 P08172 1/20 0.40
CCR5 P51681 1/20 0.40
FCER2 P06734 1/20 0.39
MMP9 P14780 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
CYP1A2 P05177 1/20 0.37
REN P00797 2/20 0.36
VNN1 O95497 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDPK1 O15530 1/20 0.36
EPHX1 P07099 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
SCHEMBL4067308 0.92 FCER2 (0.38) CCR1CHRM2CCR5FCER2MMP9
SCHEMBL27608396 0.83 CCR1 (0.51) CCR1CHRM2CCR5VNN1
SCHEMBL7688420 0.83 CCR1 (0.51) CCR1CHRM2CCR5VNN1
SCHEMBL4068329 0.82 FCER2 (0.43) CCR1FCER2MMP9RENVNN1
SCHEMBL4067311 0.80 CCR1 (0.48) CCR1CHRM2CCR5FCER2MMP9
SCHEMBL7686360 0.80 CCR1 (0.41) CCR1CHRM2CCR5RENVNN1
SCHEMBL7688073 0.78 CCR1 (0.51) CCR1CHRM2CCR5VNN1
SCHEMBL7686534 0.78 CCR1 (0.41) CCR1CHRM2CCR5
SCHEMBL2675071 0.77 CCR1 (0.40) CCR1CHRM2CCR5EPHX1
SCHEMBL7688715 0.76 CCR1 (0.37) CCR1CHRM2CCR5CYP1A2

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
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