SCHEMBL16908762

SCHEMBL16908762

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3CCCCC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCCCC2)C1

nearest known ligand 0.98

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 20/20 0.98

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
SCHEMBL16908763 1.00 CCRL2 (0.98) CCRL2
SCHEMBL9999199 0.99 CCRL2 (1.00) CCRL2
SCHEMBL9999196 0.99 CCRL2 (1.00) CCRL2
SCHEMBL9999501 0.98 CCRL2 (1.00) CCRL2
SCHEMBL9999502 0.98 CCRL2 (1.00) CCRL2
SCHEMBL9999169 0.96 CCRL2 (1.00) CCRL2
SCHEMBL9999313 0.91 CCRL2 (1.00) CCRL2
SCHEMBL9999312 0.91 CCRL2 (1.00) CCRL2
Dimethylcarbate SCHEMBL16908779 0.90 CCRL2 (0.89) CCRL2
SCHEMBL9999460 0.90 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