SCHEMBL4690359

SCHEMBL4690359

Cc1c(C(=O)N2CC3CN(CC[CH]c4ccccc4)C[C@H]3C2)c(C(N)=O)cc[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.47
CCL5 P13501 4/20 0.37

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
SCHEMBL3285409 0.85 CCR5 (0.50) CCR5CCL5
SCHEMBL3290678 0.85 CCR5 (0.50) CCR5CCL5
SCHEMBL4690424 0.83 CCR5 (0.40) CCR5CCL5
SCHEMBL3290781 0.83 CCR5 (0.47) CCR5CCL5
SCHEMBL4695880 0.82 CCR5 (0.40) CCR5CCL5
SCHEMBL4696489 0.82 CCR5 (0.42) CCR5CCL5
SCHEMBL4694116 0.81 HCRTR2 (0.38) CCR5
SCHEMBL4690783 0.81 CCR5 (0.47) CCR5CCL5
SCHEMBL4690347 0.81 HCRTR2 (0.42) CCR5
SCHEMBL4693713 0.80 CCR5 (0.49) CCR5CCL5

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