SCHEMBL15214618

SCHEMBL15214618

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1

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 8/20 1.00
▸ KCNH2 Q12809 5/20 0.79

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
SCHEMBL9999149 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999146 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999439 0.93 CCRL2 (0.86) CCRL2CCR2KCNH2
SCHEMBL9999440 0.93 CCRL2 (0.86) CCRL2CCR2KCNH2
SCHEMBL12053027 0.89 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL15214678 0.89 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL12033700 0.89 CCRL2 (0.80) CCRL2CCR2KCNH2
SCHEMBL9998569 0.88 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL12050464 0.88 CCR2 (0.78) CCRL2CCR2KCNH2
SCHEMBL2634249 0.88 CCR2 (0.78) CCRL2CCR2KCNH2

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
Send feedback