SCHEMBL4694112

SCHEMBL4694112

CCCC(=O)N1CC2CN(CC[C@H](N)c3ccccc3)CC2C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.45
CCL5 P13501 13/20 0.43

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
SCHEMBL4695378 0.90 CCL5 (0.52) CCR5CCL5
SCHEMBL4691475 0.88 CCR5 (0.43) CCR5CCL5
SCHEMBL4695013 0.86 CCR5 (0.52) CCR5CCL5
SCHEMBL4692783 0.85 CCR5 (0.60) CCR5CCL5
SCHEMBL4695090 0.84 CCR5 (0.44) CCR5CCL5
SCHEMBL4690721 0.84 CCR5 (0.45) CCR5
SCHEMBL4693236 0.83 CCR5 (0.45) CCR5CCL5
SCHEMBL4692063 0.82 CCL5 (0.51) CCR5CCL5
SCHEMBL4695868 0.82 CCR5 (0.44) CCR5CCL5
SCHEMBL4694501 0.81 CCR5 (0.46) 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 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