SCHEMBL15214702

SCHEMBL15214702

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C3CCCCO3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 20/20 1.00

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
SCHEMBL9999421 1.00 CCRL2 (1.00) CCRL2
SCHEMBL9999419 1.00 CCRL2 (1.00) CCRL2
SCHEMBL12072113 0.98 CCRL2 (1.00) CCRL2
SCHEMBL12071566 0.98 CCRL2 (1.00) CCRL2
SCHEMBL9999501 0.91 CCRL2 (1.00) CCRL2
SCHEMBL9999502 0.91 CCRL2 (1.00) CCRL2
SCHEMBL9999196 0.90 CCRL2 (1.00) CCRL2
SCHEMBL9999199 0.90 CCRL2 (1.00) CCRL2
SCHEMBL16908762 0.89 CCRL2 (0.98) CCRL2
SCHEMBL16908763 0.89 CCRL2 (0.98) 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 3 patents. 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 disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed