SCHEMBL4696815

SCHEMBL4696815

CS(=O)(=O)CNCC(=O)NC(CCN1CC2CNC[C@H]2[C@H]1C(=O)c1c(F)cccc1Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.40
MAPK1 P28482 1/20 0.33

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
SCHEMBL4694830 0.87 CCR5 (0.41) CCR5MAPK1
SCHEMBL4694831 0.87 CCR5 (0.41) CCR5MAPK1
SCHEMBL4696469 0.87 CCR5 (0.41) CCR5MAPK1
SCHEMBL4696511 0.86 CCR5 (0.40) CCR5MAPK1
SCHEMBL4696921 0.85 CCR5 (0.47) CCR5
SCHEMBL4695320 0.84 CCR5 (0.41) CCR5
SCHEMBL4690656 0.83 CCR5 (0.43) CCR5MAPK1
SCHEMBL4695429 0.82 CCR5 (0.46) CCR5
SCHEMBL4694955 0.80 CCR5 (0.38) CCR5MAPK1
SCHEMBL4695475 0.79 CCR5 (0.60) 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 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