SCHEMBL4692083

SCHEMBL4692083

Cc1ccnc(C)c1C(=O)N1CC2CN(CC(C)[C@H](N)c3ccccc3)CC2C1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.60
CCL5 P13501 10/20 0.50

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
SCHEMBL3282926 1.00 CCR5 (0.60) CCR5CCL5
SCHEMBL14626671 0.90 CCR5 (0.60) CCR5CCL5
SCHEMBL13326784 0.90 CCR5 (0.60) CCR5CCL5
Cyclopentane SCHEMBL4692900 0.86 CCR5 (0.62) CCR5CCL5
SCHEMBL13326783 0.85 CCR5 (0.69) CCR5
SCHEMBL5229995 0.85 CCR5 (0.69) CCR5
SCHEMBL5424894 0.85 CCR5 (0.69) CCR5
SCHEMBL3290783 0.84 CCR5 (0.67) CCR5CCL5
SCHEMBL5234390 0.84 CCR5 (0.75) CCR5CCL5
SCHEMBL14626227 0.83 CCR5 (0.68) CCR5CCL5

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