SCHEMBL4690734

SCHEMBL4690734

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)Nc2ccc(F)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
CCR5 P51681 19/20 0.44

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
SCHEMBL4690440 0.94 CCR5 (0.42) KCNH2CCR5
SCHEMBL4690606 0.94 CCR5 (0.42) KCNH2CCR5
SCHEMBL4691634 0.93 CCR5 (0.42) KCNH2CCR5
SCHEMBL4694144 0.93 CCR5 (0.42) KCNH2CCR5
SCHEMBL4694951 0.93 CCR5 (0.48) CCR5
SCHEMBL4690299 0.92 CCR5 (0.41) KCNH2CCR5
SCHEMBL4695270 0.92 CCR5 (0.41) KCNH2CCR5
SCHEMBL4690519 0.91 CCR5 (0.41) KCNH2CCR5
SCHEMBL4695550 0.91 CCR5 (0.41) KCNH2CCR5
SCHEMBL4694011 0.91 CCR5 (0.47) KCNH2CCR5

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 4 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-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO 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