SCHEMBL15214532

SCHEMBL15214532

O=C1C=CCC([C@H]2CC[C@@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCRL2 O00421 20/20 1.00
▸ CCR2 P41597 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70

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
SCHEMBL9999378 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999380 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999376 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999379 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999208 0.88 CCRL2 (1.00) CCRL2
SCHEMBL9999207 0.88 CCRL2 (1.00) CCRL2
SCHEMBL15214661 0.88 CCRL2 (1.00) CCRL2
SCHEMBL9999093 0.87 CCRL2 (1.00) CCRL2
SCHEMBL15214538 0.87 CCRL2 (1.00) CCRL2
SCHEMBL12071569 0.87 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
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