SCHEMBL4731339

SCHEMBL4731339

CC(C)CCC1(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC2CCOCC2)CCNC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.40
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TACR1 P25103 5/20 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
SCHEMBL4732645 0.88 CCR2 (0.42) CCR2SLC6A2SLC6A4TACR1
SCHEMBL4729719 0.87 CCR2 (0.37) CCR2SLC6A4CYP2D6TACR1
SCHEMBL4732208 0.85 CCR2 (0.36) CCR2SLC6A4CYP2D6TACR1
SCHEMBL4728688 0.85 CCR2 (0.36) CCR2SLC6A4TACR1
SCHEMBL4782016 0.82 CCR2 (0.38) CCR2SLC6A4CYP2D6TACR1
SCHEMBL4780748 0.82 CCR2 (0.41) CCR2SLC6A4CYP2D6TACR1
SCHEMBL4731707 0.80 TACR1 (0.41) CCR2SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL4727699 0.80 CETP (0.39) CCR2TACR1
SCHEMBL4730586 0.79 TACR1 (0.34) SLC6A4CYP2D6TACR1
SCHEMBL4733316 0.78 CCR2 (0.31) CCR2

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