SCHEMBL15214697

SCHEMBL15214697

O=C(CNc1ncnc2ccc(CF)cc12)N[C@H]1C[C@@H](N2CCC(O)(c3cncs3)CC2)C1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 20/20 0.81
CCR2 P41597 13/20 0.63
KCNH2 Q12809 8/20 0.50

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
SCHEMBL9999413 0.90 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL12034433 0.90 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999412 0.90 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL16838581 0.83 CCRL2 (0.64) CCRL2CCR2KCNH2
SCHEMBL12033706 0.78 CCRL2 (0.80) CCRL2CCR2KCNH2
SCHEMBL12070897 0.78 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL15214594 0.78 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999038 0.78 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999037 0.78 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999057 0.75 CCRL2 (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed