SCHEMBL4692098

SCHEMBL4692098

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)nc(-c5ccccc5)nc4C)CC3C2)C(=O)O)cc1Cl.FC1(F)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.43

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
SCHEMBL4747316 0.95 CCR5 (0.40) CCR5
SCHEMBL4694509 0.88 CCR5 (0.46) CCR5
SCHEMBL4696194 0.87 CCR5 (0.51) CCR5
SCHEMBL4696109 0.87 KMT2A (0.43) CCR5
SCHEMBL4696429 0.87 CCR5 (0.41) CCR5
SCHEMBL4697188 0.86 CCR5 (0.43) CCR5
SCHEMBL4693561 0.85 CCR5 (0.43) CCR5
SCHEMBL4695160 0.84 CCR5 (0.40) CCR5
SCHEMBL4692470 0.84 CCR5 (0.40) CCR5
SCHEMBL4695107 0.83 CCR5 (0.44) 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