SCHEMBL15214527

SCHEMBL15214527

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](C(=O)N3CCCC3)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
SCHEMBL9998949 1.00 CCRL2 (1.00) CCRL2
SCHEMBL9998948 1.00 CCRL2 (1.00) CCRL2
SCHEMBL16908785 0.89 CCRL2 (0.85) CCRL2
SCHEMBL9999169 0.89 CCRL2 (1.00) CCRL2
SCHEMBL9999502 0.88 CCRL2 (1.00) CCRL2
SCHEMBL9999501 0.88 CCRL2 (1.00) CCRL2
SCHEMBL15214666 0.88 CCRL2 (1.00) CCRL2
SCHEMBL9999460 0.88 CCRL2 (1.00) CCRL2
SCHEMBL9999461 0.88 CCRL2 (1.00) CCRL2
SCHEMBL9999199 0.88 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 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