SCHEMBL4695964

SCHEMBL4695964

COc1cc(F)c(C(=O)N2CC3CN(CC[C@H](N)c4ccccc4)CC3C2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.54
CCL5 P13501 10/20 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
SCHEMBL4690598 0.89 CCR5 (0.55) CCR5CCL5
SCHEMBL4690568 0.89 CCR5 (0.67) CCR5CCL5
SCHEMBL4694493 0.89 CCR5 (0.53) CCR5CCL5
SCHEMBL4691676 0.88 CCR5 (0.48) CCR5CCL5
SCHEMBL4691304 0.86 CCR5 (0.53) CCR5CCL5
Cyclopentane SCHEMBL4690118 0.85 CCR5 (0.70) CCR5
SCHEMBL4694118 0.83 KCNK3 (0.51) CCR5
SCHEMBL4693717 0.82 CCR5 (0.66) CCR5CCL5
SCHEMBL4696493 0.80 CCR5 (0.59) CCR5CCL5
SCHEMBL5661046 0.80 CCL5 (0.53) CCR5CCL5

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