SCHEMBL4694946

SCHEMBL4694946

CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cccnc4N4CCC4)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4694641 0.91 KCNH2 (0.47) CCR5KCNH2
SCHEMBL4787263 0.90 KCNH2 (0.50) CCR5KCNH2
SCHEMBL5435570 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL4694145 0.90 KCNH2 (0.46) CCR5KCNH2
SCHEMBL14440777 0.90 CCR5 (0.55) CCR5KCNH2
SCHEMBL14440815 0.90 CCR5 (0.55) CCR5KCNH2
SCHEMBL4697031 0.89 KCNH2 (0.46) CCR5KCNH2
SCHEMBL4694886 0.89 CCR5 (0.47) CCR5KCNH2
SCHEMBL4693765 0.88 KCNH2 (0.49) CCR5KCNH2
SCHEMBL4694824 0.88 KCNH2 (0.48) 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