Sugi Predict

Sugi Predict / Compounds / SCHEMBL4694026

SCHEMBL4694026

SCHEMBL4694026

CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4c(C)nn(-c5ccccc5)c4C)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 0.46

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
SCHEMBL4696487 0.92 KCNH2 (0.48) CCR5KCNH2
SCHEMBL4695379 0.91 CCR5 (0.51) CCR5KCNH2
SCHEMBL4694059 0.88 CCR5 (0.46) CCR5KCNH2
SCHEMBL4691462 0.88 KCNH2 (0.51) CCR5KCNH2
SCHEMBL4691425 0.87 KCNH2 (0.49) CCR5KCNH2
SCHEMBL4696637 0.87 CCR5 (0.53) CCR5KCNH2
SCHEMBL4695636 0.86 KCNH2 (0.51) CCR5KCNH2
SCHEMBL4696701 0.86 KCNH2 (0.51) CCR5KCNH2
SCHEMBL4692545 0.86 KCNH2 (0.51) CCR5KCNH2
SCHEMBL4694595 0.86 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