SCHEMBL4551935

SCHEMBL4551935

CN1C[C@@H](c2ccccc2)N(C2CCN(C3(C)CCNCC3)CC2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.56
RIPK1 Q13546 1/20 0.36

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
SCHEMBL4552558 0.87 CCR5 (0.47) CCR5
SCHEMBL4551923 0.85 CCR5 (0.65) CCR5
SCHEMBL4209312 0.83 CCR5 (0.56) CCR5
SCHEMBL14571163 0.83 RIPK1 (0.43) CCR5RIPK1
SCHEMBL13969447 0.80 CCR5 (0.68) CCR5
SCHEMBL4012998 0.80 CCR5 (0.69) CCR5
SCHEMBL4552097 0.80 CCR5 (0.41) CCR5
SCHEMBL4013527 0.78 CCR5 (0.69) CCR5
SCHEMBL4018881 0.77 CCR5 (0.55) CCR5
SCHEMBL14185373 0.74 CCR5 (0.80) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed