SCHEMBL4732753

SCHEMBL4732753

COC1(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C2(CC3CC3)CCNC2)CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.33
CCR2 P41597 3/20 0.33
HSD11B1 P28845 1/20 0.32
CETP P11597 2/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4731678 0.95 TACR1 (0.32) TACR1CCR2CETPSLC6A4
SCHEMBL4730370 0.85 TACR1 (0.35) TACR1CCR2HSD11B1CETPSLC6A4
SCHEMBL4729719 0.84 CCR2 (0.37) TACR1CCR2CETPSLC6A4
SCHEMBL4728797 0.81 CCR2 (0.38) TACR1CCR2CETP
SCHEMBL4732208 0.81 CCR2 (0.36) TACR1CCR2CETPSLC6A4
SCHEMBL4731920 0.81 TACR1 (0.35) TACR1CCR2HSD11B1CETP
SCHEMBL4731996 0.81 CCR2 (0.37) TACR1CCR2
SCHEMBL4729389 0.80 CCR2 (0.36) TACR1CCR2HSD11B1SLC6A4
SCHEMBL4728127 0.80 CCR2 (0.36) TACR1CCR2SLC6A4
SCHEMBL4728688 0.79 CCR2 (0.36) TACR1CCR2SLC6A4

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
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO disclosed