SCHEMBL5337238

SCHEMBL5337238

Cc1cccc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C(C)C)c3ccccc3)CC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00

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
SCHEMBL4691878 1.00 CCR5 (1.00) CCR5
SCHEMBL4691882 1.00 CCR5 (1.00) CCR5
SCHEMBL4695020 0.91 CCR5 (0.84) CCR5
SCHEMBL4695021 0.91 CCR5 (0.84) CCR5
SCHEMBL4694214 0.91 CCR5 (0.83) CCR5
SCHEMBL4694216 0.91 CCR5 (0.83) CCR5
Cyclopentane SCHEMBL4750291 0.91 CCR5 (0.86) CCR5
SCHEMBL4695642 0.91 CCR5 (0.86) CCR5
Cyclopropane SCHEMBL4691484 0.91 CCR5 (0.86) CCR5
SCHEMBL5524070 0.90 CCR5 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed