SCHEMBL4690584

SCHEMBL4690584

CC(=O)NC(CCN1CC2CN(C(=O)c3c(F)cccc3Cl)C[C@@H]2C1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.72

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
SCHEMBL5352098 1.00 CCR5 (0.72) CCR5
SCHEMBL4690587 1.00 CCR5 (0.72) CCR5
SCHEMBL4692321 0.93 CCR5 (0.71) CCR5
SCHEMBL4692318 0.93 CCR5 (0.71) CCR5
SCHEMBL4690224 0.91 CCR5 (0.69) CCR5
Cycloheptane SCHEMBL4695064 0.91 CCR5 (0.72) CCR5
SCHEMBL4690225 0.91 CCR5 (0.69) CCR5
SCHEMBL4745353 0.91 CCR5 (0.72) CCR5
SCHEMBL4691205 0.91 CCR5 (0.62) CCR5
SCHEMBL4691203 0.91 CCR5 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed