SCHEMBL4695859

SCHEMBL4695859

Cc1ccc(N(CCCN2CC3=CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)N(C)C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.38
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
SCHEMBL4690669 0.92 CCR5 (0.45) CCR5KCNH2
SCHEMBL4695038 0.91 CCR5 (0.38) CCR5KCNH2
SCHEMBL4693259 0.90 CCR5 (0.37) CCR5KCNH2
SCHEMBL4693304 0.89 CCR5 (0.37) CCR5KCNH2
SCHEMBL4694419 0.88 CCR5 (0.36) CCR5KCNH2
SCHEMBL4694148 0.88 MAPT (0.36) CCR5KCNH2
SCHEMBL4696402 0.88 CCR5 (0.37) CCR5KCNH2
SCHEMBL4693740 0.88 CCR5 (0.37) CCR5KCNH2
SCHEMBL4694952 0.87 CCR5 (0.37) CCR5KCNH2
SCHEMBL4691350 0.87 CCR5 (0.36) 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