SCHEMBL4696642

SCHEMBL4696642

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)C(=O)OC2CCN(C(=O)C(C)C)C2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 16/20 0.51
CCR5 P51681 11/20 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
SCHEMBL4692934 0.92 CCR5 (0.46) CCL5CCR5
SCHEMBL4694405 0.91 CCR5 (0.47) CCL5CCR5
SCHEMBL4691425 0.90 KCNH2 (0.49) CCL5CCR5
SCHEMBL4697268 0.90 CCL5 (0.46) CCL5CCR5
SCHEMBL4695354 0.90 CCR5 (0.43) CCL5CCR5
SCHEMBL4693514 0.89 CCL5 (0.49) CCL5CCR5
SCHEMBL4695637 0.88 CCR5 (0.44) CCL5CCR5
SCHEMBL4695435 0.88 CCR5 (0.48) CCL5CCR5
SCHEMBL4695533 0.88 CCL5 (0.52) CCL5CCR5
SCHEMBL4695586 0.87 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