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SCHEMBL4694571

SCHEMBL4694571

CN1CCN(CCC(=O)N[C@@H](CCN2CC3=CN(C(=O)c4c(F)cccc4Cl)CC3C2)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 9/20 0.41
▸ SIGMAR1 Q99720 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PRCP P42785 7/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL4694166 0.93 CCR5 (0.43) CCR5SIGMAR1PRCP
SCHEMBL4692374 0.92 CCR5 (0.41) CCR5SIGMAR1ALDH1A1PRCPCYP2C19
SCHEMBL4690183 0.91 CCR5 (0.43) CCR5SIGMAR1
SCHEMBL4692079 0.91 CCR5 (0.44) CCR5SIGMAR1
SCHEMBL4691520 0.88 CCR5 (0.42) CCR5SIGMAR1
SCHEMBL4693112 0.88 CCR5 (0.45) CCR5SIGMAR1
SCHEMBL4695068 0.87 CCR5 (0.44) CCR5SIGMAR1
SCHEMBL4690588 0.87 CCR5 (0.48) CCR5SIGMAR1
SCHEMBL4692787 0.87 CCR5 (0.41) CCR5SIGMAR1
SCHEMBL4692327 0.87 CCR5 (0.49) CCR5SIGMAR1

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