SCHEMBL4695459

SCHEMBL4695459

COCC(=O)N1CC(OC(=O)N(CCCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)c2ccc(C)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.42
CCL5 P13501 13/20 0.42

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
SCHEMBL4696217 0.93 CCL5 (0.49) CCR5CCL5
SCHEMBL4694743 0.91 CCL5 (0.42) CCR5CCL5
SCHEMBL4695637 0.91 CCR5 (0.44) CCR5CCL5
SCHEMBL4695435 0.89 CCR5 (0.48) CCR5CCL5
SCHEMBL4693503 0.89 CCL5 (0.49) CCR5CCL5
SCHEMBL4694887 0.88 CCR5 (0.43) CCR5CCL5
SCHEMBL4691966 0.88 CCR5 (0.43) CCR5CCL5
SCHEMBL4690119 0.88 CCL5 (0.42) CCR5CCL5
SCHEMBL4692934 0.88 CCR5 (0.46) CCR5CCL5
SCHEMBL4691425 0.87 KCNH2 (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 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