SCHEMBL16908815

SCHEMBL16908815

O=C(O)CC1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCRL2 O00421 20/20 0.84
▸ CCR2 P41597 1/20 0.78
▸ KCNH2 Q12809 1/20 0.78

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
SCHEMBL15393443 0.93 CCRL2 (0.83) CCRL2
SCHEMBL15214665 0.92 CCRL2 (1.00) CCRL2
SCHEMBL9999275 0.92 CCRL2 (1.00) CCRL2
SCHEMBL9999272 0.92 CCRL2 (1.00) CCRL2
SCHEMBL15393544 0.91 CCRL2 (0.84) CCRL2
SCHEMBL9999296 0.91 CCRL2 (1.00) CCRL2
SCHEMBL15214664 0.91 CCRL2 (1.00) CCRL2
SCHEMBL15214608 0.91 CCRL2 (1.00) CCRL2
SCHEMBL9999292 0.91 CCRL2 (1.00) CCRL2
SCHEMBL9999466 0.91 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 1 patent. 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 claimed
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