SCHEMBL5233171

SCHEMBL5233171

CCC(C)(C)N[C@@H]1CC[C@H](NC(=O)CNc2ncnc3ccc(C(F)(F)F)cc23)[C@H](COC)C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 20/20 0.55

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
SCHEMBL5031757 0.84 CCRL2 (0.59) CCRL2
SCHEMBL5031755 0.84 CCRL2 (0.59) CCRL2
SCHEMBL5033643 0.83 CCRL2 (0.56) CCRL2
SCHEMBL5033640 0.83 CCRL2 (0.56) CCRL2
SCHEMBL5031854 0.83 CCR2 (0.55) CCRL2
SCHEMBL5031849 0.83 CCR2 (0.55) CCRL2
SCHEMBL5029605 0.83 CCR2 (0.63) CCRL2
SCHEMBL5029600 0.83 CCR2 (0.63) CCRL2
SCHEMBL5031901 0.78 CCRL2 (0.71) CCRL2
SCHEMBL5228257 0.77 CCR2 (0.68)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed