SCHEMBL4694947

SCHEMBL4694947

Cc1ncnc(C)c1C(=O)N1CC2CN(CCCNC(=O)c3cc[c]cc3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 14/20 0.48
CCR5 P51681 13/20 0.48

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
SCHEMBL4972691 0.90 CCL5 (0.55) CCL5CCR5
SCHEMBL4694606 0.90 CCR5 (0.49) CCL5CCR5
SCHEMBL4694840 0.83 CCR5 (0.55) CCL5CCR5
SCHEMBL4695330 0.82 CCR5 (0.50) CCR5
SCHEMBL4694000 0.80 CCR5 (0.57) CCL5CCR5
SCHEMBL4691691 0.80 CCR5 (0.51) CCL5CCR5
SCHEMBL4691563 0.78 CCR5 (0.58) CCL5CCR5
SCHEMBL4694609 0.78 CCR5 (0.50) CCL5CCR5
SCHEMBL4972705 0.78 CCL5 (0.57) CCL5CCR5
SCHEMBL4692633 0.76 CCR5 (0.67) 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