SCHEMBL4696351

SCHEMBL4696351

COc1ccc(-n2ncc(C(=O)N3CC4CN(CCC(NC(=O)OC5CCOC5)c5ccccc5)C[C@H]4C3)c2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.47
MAPK14 Q16539 1/20 0.41

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
SCHEMBL4694916 0.94 CCR5 (0.49) CCR5
SCHEMBL4696354 0.92 CCR5 (0.46) CCR5MAPK14
SCHEMBL4695680 0.90 CCR5 (0.45) CCR5
SCHEMBL4690383 0.89 CCR5 (0.47) CCR5MAPK14
SCHEMBL4694572 0.88 CCR5 (0.53) CCR5
SCHEMBL4691271 0.87 CCR5 (0.51) CCR5
SCHEMBL4694635 0.86 CCR5 (0.50) CCR5
SCHEMBL4691481 0.85 CCR5 (0.49) CCR5
SCHEMBL4693336 0.84 CCR5 (0.47) CCR5
SCHEMBL4696237 0.83 CCR5 (0.48) 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