SCHEMBL4729906

SCHEMBL4729906

O=C(N(CCc1cncc(C(F)(F)F)c1)CC1CCOCC1)C1(CC2CC2)CCNC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.31
CCR2 P41597 1/20 0.31
DAGLB Q8NCG7 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30

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
SCHEMBL4733316 0.92 CCR2 (0.31) CCR2
SCHEMBL4729719 0.84 CCR2 (0.37) CCR2
SCHEMBL4732208 0.80 CCR2 (0.36) CCR2
SCHEMBL4728688 0.79 CCR2 (0.36) CCR2
SCHEMBL4004874 0.76
SCHEMBL4728127 0.74 CCR2 (0.36) CCR2
SCHEMBL4730586 0.74 TACR1 (0.34)
SCHEMBL3998807 0.73 SMYD3 (0.31)
SCHEMBL4731403 0.73 TACR1 (0.33) CCR2
SCHEMBL4732499 0.72 TACR1 (0.35)

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