SCHEMBL4690119

SCHEMBL4690119

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)C(=O)OC2CN(S(=O)(=O)N(C)C)C2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 15/20 0.42
CCR5 P51681 11/20 0.40

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
SCHEMBL4694049 0.95 CCL5 (0.44) CCL5CCR5
SCHEMBL4693503 0.93 CCL5 (0.49) CCL5CCR5
SCHEMBL4695637 0.90 CCR5 (0.44) CCL5CCR5
SCHEMBL4693514 0.89 CCL5 (0.49) CCL5CCR5
SCHEMBL4696217 0.89 CCL5 (0.49) CCL5CCR5
SCHEMBL4695533 0.88 CCL5 (0.52) CCL5CCR5
SCHEMBL4695435 0.88 CCR5 (0.48) CCL5CCR5
SCHEMBL4694743 0.88 CCL5 (0.42) CCL5CCR5
SCHEMBL4695459 0.88 CCR5 (0.42) CCL5CCR5
SCHEMBL4694887 0.88 CCR5 (0.43) 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 1 patent. 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