SCHEMBL634339

SCHEMBL634339

CSc1ccc(C2=CCC(N(C(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C3CNC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.52
CCR3 P51677 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
SCHEMBL633026 0.89 CCR2 (0.52) CCR2
SCHEMBL633414 0.85 CCR2 (0.47) CCR2
SCHEMBL628694 0.84 CCR2 (0.48) CCR2
SCHEMBL629448 0.80 CCR2 (0.41) CCR2
SCHEMBL614631 0.77 CCR2 (0.75) CCR2
SCHEMBL629157 0.73 CCR2 (0.48) CCR2
Trifluoroacetic Acid SCHEMBL632228 0.73 CCR2 (0.60) CCR2
SCHEMBL3347918 0.71 CCR2 (0.67) CCR2
SCHEMBL3719908 0.71 CCR2 (0.61) CCR2
SCHEMBL633234 0.71 CCR2 (0.53) 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
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed