SCHEMBL18700148

SCHEMBL18700148

O=C(C1CCC(NC2CCOCC2)C1)N1CCc2ncc(C(F)(F)F)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.66
KCNH2 Q12809 8/20 0.66
CYP3A4 P08684 1/20 0.50

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
SCHEMBL18699937 0.85 CCR2 (0.71) CCR2CYP3A4
SCHEMBL18699939 0.85 CCR2 (0.71) CCR2CYP3A4
SCHEMBL19337949 0.85 CCR2 (0.63) CCR2KCNH2
SCHEMBL14100727 0.85 CCR2 (0.63) CCR2KCNH2
SCHEMBL12528261 0.81 CCR2 (0.50) CCR2KCNH2
SCHEMBL26060586 0.81 CCR2 (0.50) CCR2KCNH2
SCHEMBL26061234 0.81 CCR2 (0.50) CCR2KCNH2
SCHEMBL15325952 0.80 CCR2 (1.00) CCR2KCNH2
SCHEMBL14636914 0.80 CCR2 (1.00) CCR2KCNH2CYP3A4
SCHEMBL13226327 0.79 CCR2 (0.77) CCR2KCNH2

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
EP-2834234-B1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-2875023-B1 OCTAHYDRO-CYCLOPENTAPYRROLYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-04-05 EP disclosed