SCHEMBL16908773

SCHEMBL16908773

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@H](NC(=O)O)CC2)C1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 20/20 0.86
CCR2 P41597 1/20 0.80
KCNH2 Q12809 1/20 0.80

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
SCHEMBL9999031 1.00 CCRL2 (0.86) CCRL2CCR2KCNH2
SCHEMBL12052965 0.92 CCRL2 (1.00) CCRL2
SCHEMBL9999190 0.92 CCRL2 (1.00) CCRL2
SCHEMBL9999188 0.92 CCRL2 (1.00) CCRL2
SCHEMBL16908785 0.92 CCRL2 (0.85) CCRL2CCR2KCNH2
SCHEMBL9998458 0.91 CCRL2 (1.00) CCRL2
SCHEMBL9998450 0.91 CCRL2 (1.00) CCRL2
SCHEMBL12033425 0.91 CCRL2 (1.00) CCRL2
SCHEMBL9999460 0.91 CCRL2 (1.00) CCRL2
SCHEMBL15214666 0.91 CCRL2 (1.00) CCRL2

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
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP claimed