SCHEMBL2903419

SCHEMBL2903419

COCC1CCN(CCCCN2CCN(C(=O)C=Cc3ccc(F)c(Cl)c3)CCC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.47
PYGL P06737 2/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL2903416 1.00 CCR2 (0.47) CCR2PYGLSLC2A1
SCHEMBL2896240 0.93 CCR2 (0.53) CCR2PYGLSLC2A1
SCHEMBL2896245 0.93 CCR2 (0.53) CCR2PYGLSLC2A1
SCHEMBL2902759 0.92 PYGL (0.42) CCR2PYGL
SCHEMBL2903188 0.91 CCR2 (0.53) CCR2PYGLSLC2A1
SCHEMBL2903185 0.91 CCR2 (0.53) CCR2PYGLSLC2A1
SCHEMBL2922190 0.90 CCR2 (0.50) CCR2PYGLSLC2A1
SCHEMBL2922192 0.90 CCR2 (0.50) CCR2PYGLSLC2A1
SCHEMBL2899254 0.89 CCR2 (0.50) CCR2PYGLSLC2A1
SCHEMBL2904446 0.89 PYGL (0.47) PYGL

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-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed