SCHEMBL4695355

SCHEMBL4695355

Cc1ccnc(C)c1C(=O)N1C=C2CN(CC[C@H](NC(=O)CC3CCCC3)c3ccccc3)CC2C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.56
SLC6A9 P48067 1/20 0.40

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
SCHEMBL4693860 0.99 CCR5 (0.55) CCR5SLC6A9
SCHEMBL3283235 0.99 CCR5 (0.55) CCR5SLC6A9
SCHEMBL4697295 0.91 CCR5 (0.59) CCR5
SCHEMBL4691635 0.91 CCR5 (0.58) CCR5
SCHEMBL4691865 0.90 CCR5 (0.52) CCR5
SCHEMBL4690751 0.90 CCR5 (0.53) CCR5SLC6A9
SCHEMBL4694351 0.88 CCR5 (0.52) CCR5SLC6A9
SCHEMBL4694443 0.88 CCR5 (0.55) CCR5SLC6A9
SCHEMBL4689957 0.85 CCR5 (0.52) CCR5SLC6A9
SCHEMBL4690201 0.85 CCR5 (0.49) CCR5SLC6A9

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