SCHEMBL5233175

SCHEMBL5233175

O=C(NC(CCN1CC2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2C1)c1ccccc1)C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.63

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
SCHEMBL13359857 0.85 CCR5 (0.75) CCR5
SCHEMBL13326659 0.85 CCR5 (0.75) CCR5
SCHEMBL4690448 0.82 GRIN2B (0.41) CCR5
SCHEMBL5231957 0.81 CCR5 (0.65) CCR5
SCHEMBL4697349 0.80 CCR5 (0.84) CCR5
SCHEMBL4697296 0.78 CCR5 (0.72) CCR5
SCHEMBL4693379 0.77 CCR5 (0.72) CCR5
SCHEMBL13326657 0.74 CCR5 (0.73) CCR5
SCHEMBL13326707 0.74 CCR5 (0.73) CCR5
Cyclopentane SCHEMBL4692816 0.74 CCR5 (0.67) CCR5

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-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed