SCHEMBL4693758

SCHEMBL4693758

CS(=O)(=O)c1ccccc1C(=O)N1CC2CN(CC[C@H](N)c3ccccc3)CC2C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CCL5 P13501 10/20 0.46
CCR5 P51681 13/20 0.45

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
SCHEMBL4695158 0.85 CCR5 (0.55) CCL5CCR5
SCHEMBL4689905 0.83 CCR5 (0.52) CCL5CCR5
SCHEMBL4695132 0.83 CCL5 (0.52) CCL5CCR5
SCHEMBL4695271 0.83 LMNA (0.53) LMNACCL5CCR5
SCHEMBL4690351 0.83 CCR5 (0.55) CCL5CCR5
SCHEMBL4693261 0.83 HCRTR1 (0.51) CCR5
SCHEMBL4690997 0.83 CCR5 (0.48) CCL5CCR5
SCHEMBL4691742 0.83 CCR5 (0.45) CCL5CCR5
SCHEMBL4694458 0.81 CCR5 (0.53) CCL5CCR5
SCHEMBL4691786 0.81 HCRTR1 (0.52) 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 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