SCHEMBL4731708

SCHEMBL4731708

O=C(NC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCOCC1)C1(Cc2ccccc2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.45
CCR2 P41597 8/20 0.39
SMYD3 Q9H7B4 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL4732647 0.86 CCR2 (0.43) TACR1CCR2
SCHEMBL4782017 0.85 CCR2 (0.41) TACR1CCR2
SCHEMBL4780749 0.83 CCR2 (0.46) TACR1CCR2
SCHEMBL4731707 0.74 TACR1 (0.41) TACR1CCR2SLC6A4SLC6A2SLC6A3
SCHEMBL3042043 0.69 CCR2 (0.49) TACR1CCR2
SCHEMBL4731860 0.68 CCR2 (0.49) TACR1CCR2
SCHEMBL14169574 0.68 CCR2 (0.66) CCR2
SCHEMBL14169710 0.67 CCR2 (0.50) TACR1CCR2
SCHEMBL7919878 0.67 EPHX1 (0.50) SMYD3SLC6A4SLC6A2SLC6A3
SCHEMBL4727699 0.66 CETP (0.39) TACR1CCR2

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 claimed