SCHEMBL15214077

SCHEMBL15214077

Cc1ccc2ccnc(NCC(=O)NC3CN([C@H]4CC[C@@H](c5ncccc5N)CC4)C3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 13/20 0.62
▸ CCRL2 O00421 12/20 0.62
▸ KCNH2 Q12809 11/20 0.62

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
SCHEMBL12032679 1.00 CCR2 (0.62) CCR2CCRL2KCNH2
SCHEMBL12032553 0.91 CCRL2 (0.62) CCR2CCRL2KCNH2
SCHEMBL12033624 0.88 CCRL2 (0.80) CCR2CCRL2KCNH2
SCHEMBL12032669 0.87 CCRL2 (0.60) CCR2CCRL2KCNH2
SCHEMBL12032670 0.85 CCR2 (0.62) CCR2CCRL2KCNH2
SCHEMBL12032675 0.84 CCRL2 (0.61) CCR2CCRL2KCNH2
SCHEMBL12032672 0.84 CCRL2 (0.60) CCR2CCRL2KCNH2
SCHEMBL15214075 0.82 CCRL2 (0.61) CCR2CCRL2KCNH2
SCHEMBL12032681 0.82 CCRL2 (0.61) CCR2CCRL2KCNH2
SCHEMBL12032688 0.82 CCRL2 (0.62) CCR2CCRL2KCNH2

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
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