SCHEMBL12072113

SCHEMBL12072113

O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3CCCO3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCRL2 O00421 20/20 1.00

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
SCHEMBL12071566 1.00 CCRL2 (1.00) CCRL2
SCHEMBL9999419 0.98 CCRL2 (1.00) CCRL2
SCHEMBL9999421 0.98 CCRL2 (1.00) CCRL2
SCHEMBL15214702 0.98 CCRL2 (1.00) CCRL2
SCHEMBL9999502 0.90 CCRL2 (1.00) CCRL2
SCHEMBL9999501 0.90 CCRL2 (1.00) CCRL2
SCHEMBL9999313 0.89 CCRL2 (1.00) CCRL2
SCHEMBL9999312 0.89 CCRL2 (1.00) CCRL2
SCHEMBL9999196 0.89 CCRL2 (1.00) CCRL2
SCHEMBL9999199 0.89 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
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 — — WO disclosed
Send feedback