SCHEMBL4689800

SCHEMBL4689800

O=C(CCc1cccnc1)N[C@@H](CCN1CC2CN(C(=O)c3c(F)cccc3Cl)CC2C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.56

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
SCHEMBL4689798 1.00 CCR5 (0.56) CCR5
SCHEMBL4692076 0.86 CCR5 (0.66) CCR5
SCHEMBL4692071 0.86 CCR5 (0.66) CCR5
SCHEMBL4694115 0.86 CCR5 (0.61) CCR5
SCHEMBL4694122 0.86 CCR5 (0.61) CCR5
SCHEMBL4695562 0.86 CCR5 (0.55) CCR5
SCHEMBL4695466 0.86 CCR5 (0.55) CCR5
SCHEMBL4690132 0.85 CCR5 (0.65) CCR5
SCHEMBL4690135 0.85 CCR5 (0.65) CCR5
SCHEMBL4694642 0.85 CCR5 (0.65) 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-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-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed