SCHEMBL4692332

SCHEMBL4692332

COc1cc(C)c(C(=O)N2CC3CN(CCCNc4ccc(C)c(Cl)c4)CC3C2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 6/20 0.51
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL4690310 0.93 MAPT (0.46) CCR5MAPTALDH1A1LMNAHTT
SCHEMBL4693543 0.93 MAPT (0.46) CCR5MAPTALDH1A1LMNAHTT
SCHEMBL4694337 0.91 CCR5 (0.43) CCR5MAPTALDH1A1LMNAHTT
SCHEMBL4690931 0.90 MAPT (0.51) CCR5MAPTALDH1A1LMNAHTT
SCHEMBL4689521 0.89 MAPT (0.57) MAPTALDH1A1LMNAHTTUSP2
SCHEMBL3281865 0.89 CCR5 (0.52) CCR5MAPTALDH1A1LMNAHTT
SCHEMBL4693901 0.88 HCRTR1 (0.47) CCR5MAPTALDH1A1LMNAHTT
SCHEMBL4694783 0.88 MAPT (0.46) CCR5MAPTALDH1A1LMNAHTT
SCHEMBL4693613 0.87 GFER (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4690404 0.87 CCR5 (0.41) CCR5MAPTALDH1A1LMNAHTT

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 6 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-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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed
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 disclosed
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 disclosed
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