SCHEMBL4732647

SCHEMBL4732647

CC(C)CC1(C(=O)NC(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCOCC2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.43
TACR1 P25103 1/20 0.38

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
SCHEMBL4782017 0.88 CCR2 (0.41) CCR2TACR1
SCHEMBL4780749 0.87 CCR2 (0.46) CCR2TACR1
SCHEMBL4731708 0.86 TACR1 (0.45) CCR2TACR1
SCHEMBL4731356 0.76 TACR1 (0.44) CCR2TACR1
SCHEMBL4797150 0.76 TACR1 (0.59) CCR2TACR1
SCHEMBL4732645 0.74 CCR2 (0.42) CCR2TACR1
Trifluoroacetic Acid SCHEMBL3038763 0.73 TACR1 (0.58) CCR2TACR1
SCHEMBL3023281 0.69 CCR2 (0.56) CCR2
SCHEMBL4731341 0.69 CCR2 (0.56) CCR2
SCHEMBL14169305 0.68 CCR2 (0.75) 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 2 patents. 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 claimed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO disclosed