SCHEMBL4690833

SCHEMBL4690833

Cc1cccc(C)c1C(=O)N1C=C2CN(CC[C@H](NC(=O)C(C)N3CCOCC3)c3ccccc3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.51
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4695028 0.87 CCR5 (0.66) CCR5
SCHEMBL4695137 0.85 CCR5 (0.56) CCR5
SCHEMBL4694217 0.85 CCR5 (0.55) CCR5
SCHEMBL4691323 0.84 CCR5 (0.65) CCR5
SCHEMBL4694215 0.83 CCR5 (0.53) CCR5
SCHEMBL4690831 0.83 CCR5 (0.75) CCR5
SCHEMBL4690830 0.83 CCR5 (0.75) CCR5
SCHEMBL4691292 0.82 CCR5 (0.54) CCR5
SCHEMBL4691501 0.82 CCR5 (0.53) CCR5
SCHEMBL4694123 0.82 CCR5 (0.66) 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-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