SCHEMBL4552736

SCHEMBL4552736

CC(C)(C)OC(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.69

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
SCHEMBL4206068 0.92 CCR5 (0.59) CCR5
SCHEMBL4208132 0.92 CCR5 (0.69) CCR5
SCHEMBL5572556 0.82 GPR119 (0.47) CCR5
SCHEMBL5572558 0.82 GPR119 (0.47) CCR5
SCHEMBL14184998 0.81 CCR5 (1.00) CCR5
SCHEMBL4552609 0.81 CCR5 (0.45) CCR5
SCHEMBL3758660 0.81 CCR5 (0.56) CCR5
SCHEMBL3758664 0.81 CCR5 (0.56) CCR5
SCHEMBL4551923 0.81 CCR5 (0.65) CCR5
SCHEMBL5576089 0.80 CCR5 (0.54) 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