SCHEMBL4694386

SCHEMBL4694386

COC(=O)N1CCC(C(=O)N(CCCN2CC3CNCC3[C@H]2C(=O)c2c(C)ncnc2C)c2ccc(C)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.43
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4695018 0.86 CCR5 (0.47) CCR5KCNH2
SCHEMBL4694547 0.80 CCR5 (0.51) CCR5KCNH2
SCHEMBL4747293 0.78 CCR5 (0.36) CCR5
SCHEMBL4696270 0.77 CCR5 (0.54) CCR5KCNH2
SCHEMBL4694548 0.76 CCR5 (0.44) CCR5KCNH2
SCHEMBL4692775 0.75 CCR5 (0.49) CCR5KCNH2
SCHEMBL4691503 0.74 KCNH2 (0.46) CCR5KCNH2
SCHEMBL4693871 0.74 KCNH2 (0.46) CCR5KCNH2
SCHEMBL4696008 0.72 CCR5 (0.49) CCR5KCNH2
SCHEMBL4696273 0.72 CCR5 (0.46) 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 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