SCHEMBL4691559

SCHEMBL4691559

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)C(=O)N(C)c2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 13/20 0.46
CCR5 P51681 13/20 0.46

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
Cyclopropane SCHEMBL4694918 0.88 CCR5 (0.46) CCL5CCR5
SCHEMBL4694613 0.88 CCR5 (0.49) CCL5CCR5
SCHEMBL4693188 0.85 CCR5 (0.46) CCL5CCR5
SCHEMBL4695148 0.85 CCR5 (0.45) CCL5CCR5
SCHEMBL4972731 0.85 CCR5 (0.49) CCL5CCR5
SCHEMBL4695394 0.84 CCR5 (0.52) CCR5
SCHEMBL4690119 0.84 CCL5 (0.42) CCL5CCR5
SCHEMBL4691560 0.84 CCR5 (0.38) CCR5
SCHEMBL4693503 0.84 CCL5 (0.49) CCL5CCR5
SCHEMBL3283425 0.83 CCR5 (0.51) 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