SCHEMBL4694723

SCHEMBL4694723

Cc1cccc(C)c1C(=O)N1C=C2CN(CC[C@H](NC(=O)OC(C)(C)C)c3cccc(F)c3)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.41
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4695027 0.89 CCR5 (0.49) CCR5
SCHEMBL4691590 0.88 CCR5 (0.53) CCR5KCNH2
SCHEMBL4696508 0.87 CCR5 (0.41) CCR5
SCHEMBL4694720 0.83 CCR5 (0.61) CCR5KCNH2
SCHEMBL4694717 0.83 CCR5 (0.61) CCR5KCNH2
SCHEMBL5527275 0.81 CCR5 (0.49) CCR5
SCHEMBL4694159 0.81 CCR5 (0.53) CCR5
SCHEMBL5528940 0.80 CCR5 (0.39) CCR5KCNH2
SCHEMBL4691843 0.80 CCR5 (0.52) CCR5
SCHEMBL4691323 0.79 CCR5 (0.65) CCR5KCNH2

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