SCHEMBL4696751

SCHEMBL4696751

Cc1cccc(C)c1C(=O)N1CC2CN(CCC(NC(=O)OC3CCOC3)c3ccccn3)C[C@H]2C1

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
SCHEMBL4695540 0.88 CCR5 (0.75) CCR5
SCHEMBL4692262 0.84 CCR5 (0.68) CCR5
SCHEMBL4692588 0.84 CCR5 (0.68) CCR5
SCHEMBL4694657 0.84 CCR5 (0.68) CCR5
Cyclopropane SCHEMBL4692203 0.83 CCR5 (0.65) CCR5
SCHEMBL4695622 0.81 CCR5 (0.66) CCR5
SCHEMBL4695578 0.81 CCR5 (0.66) CCR5
SCHEMBL4695371 0.81 CCR5 (0.67) CCR5
SCHEMBL4695085 0.80 CCR5 (0.61) CCR5
SCHEMBL4696765 0.80 CCR5 (0.56) 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