SCHEMBL4597917

SCHEMBL4597917

COC[C@H](C)N1CC(c2ccccc2)N(C2CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.45

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
SCHEMBL4597909 1.00 CCR5 (0.45) CCR5
SCHEMBL5575457 0.89 GPR119 (0.45) CCR5
SCHEMBL5576732 0.89 GPR119 (0.45) CCR5
SCHEMBL5576730 0.89 GPR119 (0.45) CCR5
SCHEMBL5575448 0.89 GPR119 (0.45) CCR5
SCHEMBL5572451 0.79 STS (0.43) CCR5
SCHEMBL5576710 0.75 CCR5 (0.70) CCR5
SCHEMBL5576550 0.75 CCR5 (0.70) CCR5
SCHEMBL5576721 0.75 CCR5 (0.70) CCR5
SCHEMBL5576531 0.75 CCR5 (0.70) 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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed