SCHEMBL4729389

SCHEMBL4729389

CC1COCC(C)C1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(CC2CC2)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.36
TACR1 P25103 12/20 0.34
HSD11B1 P28845 1/20 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
SCHEMBL4729719 0.86 CCR2 (0.37) CCR2TACR1SLC6A4
SCHEMBL4728127 0.85 CCR2 (0.36) CCR2TACR1SLC6A4
SCHEMBL4728688 0.85 CCR2 (0.36) CCR2TACR1SLC6A4
SCHEMBL4730370 0.84 TACR1 (0.35) CCR2TACR1HSD11B1SLC6A4
SCHEMBL4732499 0.84 TACR1 (0.35) TACR1HSD11B1SLC6A4
SCHEMBL4730586 0.84 TACR1 (0.34) TACR1HSD11B1SLC6A4
SCHEMBL4732208 0.83 CCR2 (0.36) CCR2TACR1SLC6A4
SCHEMBL4731996 0.83 CCR2 (0.37) CCR2TACR1
SCHEMBL4731403 0.82 TACR1 (0.33) CCR2TACR1HSD11B1
SCHEMBL4732753 0.80 TACR1 (0.33) CCR2TACR1HSD11B1SLC6A4

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