SCHEMBL4694750

SCHEMBL4694750

Cc1ccc(OC(=O)NC(CCN2CC3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C2)c2ccccc2)s1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.68
CCL5 P13501 12/20 0.59

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
SCHEMBL4751337 0.91 CCR5 (0.69) CCR5CCL5
SCHEMBL4751916 0.89 CCR5 (0.72) CCR5
Cyclopropane SCHEMBL4695731 0.86 CCR5 (0.82) CCR5CCL5
SCHEMBL4692466 0.86 CCR5 (0.82) CCR5CCL5
Cyclopentane SCHEMBL4696157 0.86 CCR5 (0.82) CCR5CCL5
SCHEMBL5527273 0.85 CCR5 (0.71) CCR5CCL5
SCHEMBL4972549 0.85 CCR5 (0.71) CCR5CCL5
SCHEMBL4694298 0.82 CCR5 (0.77) CCR5CCL5
SCHEMBL30227368 0.81 CCR5 (0.81) CCR5CCL5
SCHEMBL4696765 0.81 CCR5 (0.56) 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