SCHEMBL4694045

SCHEMBL4694045

Cc1nc(-c2csc(C(N)=O)n2)nc(C)c1C(=O)N1CC2CN(CC[CH]c3ccccc3)C[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 12/20 0.39
CCR5 P51681 13/20 0.38

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
SCHEMBL4694680 0.83 ALK (0.34) CCL5CCR5
SCHEMBL4695015 0.81 CCR5 (0.40) CCL5CCR5
SCHEMBL4692800 0.80 CCL5 (0.44) CCL5CCR5
SCHEMBL4695141 0.80 CCR5 (0.39) CCL5CCR5
SCHEMBL3283391 0.80 CCR5 (0.39) CCL5CCR5
SCHEMBL4691440 0.79 CCR5 (0.41) CCL5CCR5
SCHEMBL5661217 0.78 CCL5 (0.40) CCL5CCR5
SCHEMBL3290781 0.78 CCR5 (0.47) CCL5CCR5
SCHEMBL4694907 0.77 CCL5 (0.43) CCL5CCR5
SCHEMBL4694360 0.77 CCL5 (0.39) CCL5CCR5

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