SCHEMBL4694222

SCHEMBL4694222

O=C(NC(CCN1CC2CN(C(=O)c3c(F)cccc3Cl)C[C@@H]2C1)c1ccccc1)Oc1sccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.58

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
SCHEMBL4690159 0.90 CCR5 (0.59) CCR5
SCHEMBL4694604 0.87 CCR5 (0.66) CCR5
SCHEMBL4694607 0.87 CCR5 (0.66) CCR5
SCHEMBL4695560 0.86 CCR5 (0.59) CCR5
SCHEMBL4692730 0.86 CCR5 (0.57) CCR5
SCHEMBL4692321 0.85 CCR5 (0.71) CCR5
SCHEMBL4692318 0.85 CCR5 (0.71) CCR5
SCHEMBL4695465 0.84 CCR5 (0.58) CCR5
SCHEMBL4695240 0.84 CCR5 (0.58) CCR5
SCHEMBL4691004 0.84 CCR5 (0.58) 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 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