SCHEMBL4796303

SCHEMBL4796303

CS(=O)(=O)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCN(CC2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 9/20 0.48
▸ CYP3A4 P08684 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ EBP Q15125 5/20 0.44
▸ HTT P42858 1/20 0.43
▸ UBE2M P61081 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL3022931 0.88 CCR2 (0.50) CCR2CYP3A4ALDH1A1EBPHTT
SCHEMBL3042038 0.82 CCR2 (0.55) CCR2EBPKCNH2
SCHEMBL3023614 0.79 CCR2 (0.51) CCR2EBP
SCHEMBL3023281 0.79 CCR2 (0.56) CCR2EBP
SCHEMBL3042043 0.76 CCR2 (0.49) CCR2CYP3A4EBPUBE2MDCUN1D1
SCHEMBL3040350 0.76 HRH3 (0.50) CCR2CYP3A4EBPUBE2MDCUN1D1
SCHEMBL3036595 0.76 CCR2 (0.50) CCR2EBP
SCHEMBL3039259 0.75 CCR2 (0.48) CCR2CYP3A4EBPKCNH2
SCHEMBL3041700 0.75 CCR2 (0.47) CCR2CYP3A4ALDH1A1EBPKCNH2
SCHEMBL13789280 0.75 CCR2 (0.70) 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 claimed
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