SCHEMBL4697295

SCHEMBL4697295

Cc1ncnc(C)c1C(=O)N1C=C2CN(CC[C@H](NC(=O)CC3CCCC3)c3ccccc3)CC2C1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.59
CCL5 P13501 5/20 0.42

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
SCHEMBL4691635 0.99 CCR5 (0.58) CCR5CCL5
SCHEMBL4695355 0.91 CCR5 (0.56) CCR5
SCHEMBL3283235 0.91 CCR5 (0.55) CCR5
SCHEMBL4693860 0.91 CCR5 (0.55) CCR5
SCHEMBL4691865 0.89 CCR5 (0.52) CCR5
SCHEMBL5527275 0.83 CCR5 (0.49) CCR5CCL5
SCHEMBL4694837 0.83 CCR5 (0.47) CCR5
SCHEMBL4693760 0.82 CCR5 (0.83) CCR5CCL5
SCHEMBL4693762 0.82 CCR5 (0.83) CCR5CCL5
SCHEMBL4695041 0.82 CCR5 (0.47) 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