SCHEMBL4694046

SCHEMBL4694046

Cc1nc(-c2nc(C)c(C(=O)N3CC4CN(CC[C@H](N)c5ccccc5)CC4C3)c(C)n2)cs1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 16/20 0.48
CCR5 P51681 12/20 0.47

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
SCHEMBL4695016 0.86 CCL5 (0.53) CCL5CCR5
SCHEMBL4691442 0.85 CCL5 (0.56) CCL5CCR5
SCHEMBL4695142 0.84 CCL5 (0.50) CCL5CCR5
SCHEMBL3283395 0.84 CCL5 (0.50) CCL5CCR5
SCHEMBL4694682 0.84 CCR5 (0.46) CCL5CCR5
SCHEMBL13359853 0.83 CCL5 (0.54) CCL5CCR5
SCHEMBL4694909 0.82 CCL5 (0.58) CCL5CCR5
SCHEMBL5235577 0.81 CCL5 (0.38) CCL5CCR5
SCHEMBL5661046 0.81 CCL5 (0.53) CCL5CCR5
SCHEMBL4692801 0.81 CCL5 (0.52) CCL5CCR5

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