SCHEMBL4728688

SCHEMBL4728688

O=C(N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC1CCOCC1)C1(CC2COC2)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.36
TACR1 P25103 7/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
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
SCHEMBL4729719 0.95 CCR2 (0.37) CCR2TACR1SLC6A4
SCHEMBL4732208 0.93 CCR2 (0.36) CCR2TACR1SLC6A4
SCHEMBL4728127 0.88 CCR2 (0.36) CCR2TACR1SLC6A4
SCHEMBL4733316 0.85 CCR2 (0.31) CCR2
SCHEMBL4731339 0.85 CCR2 (0.40) CCR2TACR1SLC6A4
SCHEMBL4729389 0.85 CCR2 (0.36) CCR2TACR1SLC6A4
SCHEMBL4730586 0.84 TACR1 (0.34) TACR1SLC6A4
SCHEMBL4732499 0.83 TACR1 (0.35) TACR1SLC6A4
SCHEMBL4782016 0.83 CCR2 (0.38) CCR2TACR1SLC6A4
SCHEMBL4732645 0.83 CCR2 (0.42) CCR2TACR1SLC6A4

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