SCHEMBL15214683

SCHEMBL15214683

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3CO)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCRL2 O00421 19/20 1.00
▸ CCR2 P41597 6/20 0.83
▸ KCNH2 Q12809 6/20 0.83

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
SCHEMBL9999165 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999164 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999051 0.91 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999437 0.89 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL12033629 0.88 CCRL2 (0.79) CCRL2CCR2KCNH2
SCHEMBL9999422 0.88 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL15214669 0.88 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999423 0.88 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999209 0.87 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL16908796 0.86 CCRL2 (0.85) 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
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