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SCHEMBL4696133

SCHEMBL4696133

Cc1cccc(C(=O)N[C@@H](CCN2CC3=CN(C(=O)c4c(F)cccc4Cl)CC3C2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 14/20 0.46
▸ UTS2R Q9UKP6 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DGAT2 Q96PD7 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GAA P10253 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
SCHEMBL4691249 0.93 CCR5 (0.44) CCR5UTS2RDGAT2
SCHEMBL4690858 0.93 CCR5 (0.48) CCR5UTS2RDGAT2
SCHEMBL4696387 0.92 CCR5 (0.47) CCR5UTS2R
SCHEMBL4692159 0.91 CCR5 (0.42) CCR5UTS2RLMNADGAT2GAA
SCHEMBL4694054 0.91 CCR5 (0.42) CCR5UTS2RDGAT2GAA
SCHEMBL4690242 0.91 CCR5 (0.43) CCR5UTS2RDGAT2
SCHEMBL4692359 0.90 CCR5 (0.42) CCR5UTS2RLMNAGAA
SCHEMBL4691824 0.90 CCR5 (0.42) CCR5UTS2RLMNADGAT2
SCHEMBL4690226 0.90 CCR5 (0.46) CCR5UTS2R
SCHEMBL4695516 0.90 CCR5 (0.41) CCR5UTS2RDGAT2

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