SCHEMBL5072908

SCHEMBL5072908

CCCCC1CN(Cc2ccc(F)cc2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.72
KCNH2 Q12809 1/20 0.71

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
SCHEMBL3626604 0.91 CCR5 (0.68) CCR5KCNH2
SCHEMBL3631838 0.84 CCR5 (0.79) CCR5KCNH2
SCHEMBL3631583 0.84 CCR5 (0.88) CCR5KCNH2
SCHEMBL4474587 0.84 CCR5 (0.79) CCR5KCNH2
SCHEMBL4482373 0.84 CCR5 (0.69) CCR5KCNH2
SCHEMBL4475154 0.84 CCR5 (1.00) CCR5KCNH2
SCHEMBL13604581 0.84 CCR5 (0.87) CCR5KCNH2
SCHEMBL4471153 0.84 CCR5 (0.87) CCR5KCNH2
SCHEMBL4498265 0.84 CCR5 (0.87) CCR5KCNH2
SCHEMBL3630706 0.84 CCR5 (0.87) CCR5KCNH2

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-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
EP-1981911-A2 SYNERGISTIC COMPOSITIONS FOR TREATING HIV F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
WO-2007085567-A2 SYNERGISTIC COMPOSITIONS FOR TREATING HIV F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed