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SCHEMBL4695312

SCHEMBL4695312

Cc1cccc(C)c1C(=O)N[C@@H](CCN1CC2=CN(C(=O)c3c(F)cccc3Cl)CC2C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 14/20 0.49
▸ UTS2R Q9UKP6 2/20 0.42
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ SLC6A9 P48067 3/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.37

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
SCHEMBL4690226 0.94 CCR5 (0.46) CCR5UTS2RITGB1ITGA4SLC6A9
SCHEMBL4694157 0.94 CCR5 (0.46) CCR5UTS2RITGB1ITGA4
SCHEMBL4693164 0.92 CCR5 (0.45) CCR5UTS2RITGB1ITGA4
SCHEMBL4690151 0.92 CCR5 (0.48) CCR5UTS2RITGB1ITGA4SLC6A9
SCHEMBL4692327 0.92 CCR5 (0.49) CCR5
SCHEMBL4690858 0.91 CCR5 (0.48) CCR5UTS2R
SCHEMBL4696387 0.91 CCR5 (0.47) CCR5UTS2R
SCHEMBL4694396 0.90 CCR5 (0.44) CCR5UTS2R
SCHEMBL4692747 0.90 CCR5 (0.44) CCR5UTS2R
SCHEMBL4690588 0.90 CCR5 (0.48) 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-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed