SCHEMBL16908752

SCHEMBL16908752

N#Cc1cc(NCC(=O)NC2CN(C3CCC(O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 19/20 1.00
CCR2 P41597 12/20 1.00
KCNH2 Q12809 7/20 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
SCHEMBL16908753 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL12053066 1.00 CCRL2 (1.00) CCRL2CCR2KCNH2
Citric Acid SCHEMBL9999027 0.94 CCRL2 (0.89) CCRL2CCR2KCNH2
Citric Acid SCHEMBL9999025 0.94 CCRL2 (0.89) CCRL2CCR2KCNH2
SCHEMBL9999374 0.91 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL15214714 0.91 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999375 0.91 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL12052970 0.91 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999360 0.89 CCRL2 (1.00) CCRL2CCR2KCNH2
SCHEMBL9999061 0.89 CCRL2 (0.80) 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
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP claimed