SCHEMBL4691889

SCHEMBL4691889

COc1ccc(-n2ncc(C(=O)N3CC4CN(CCCNc5ccc(C)c(Cl)c5)CC4C3)c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK14 Q16539 1/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 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
SCHEMBL4690978 0.92 MAPT (0.40) MAPTALDH1A1MAPK14TP53POLB
SCHEMBL4692067 0.92 MAPT (0.41) MAPTMAPK14PTPN1TP53POLB
SCHEMBL4691706 0.91 MAPT (0.47) MAPTALDH1A1MAPK14TP53POLB
SCHEMBL4693427 0.90 MAPT (0.42) MAPTALDH1A1HCRTR1HCRTR2TP53
SCHEMBL4691886 0.88 MAPT (0.45) MAPTALDH1A1MAPK14TP53SMN1; SMN2
SCHEMBL4691665 0.84 TP53 (0.41) MAPTALDH1A1TP53POLBSMN1; SMN2
SCHEMBL4690931 0.84 MAPT (0.51) MAPTALDH1A1HCRTR1HCRTR2POLB
SCHEMBL4692813 0.84 MAPT (0.44) MAPTALDH1A1HCRTR1HCRTR2POLB
SCHEMBL4689521 0.83 MAPT (0.57) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL4691686 0.83 MAPT (0.48) MAPTALDH1A1TP53POLBSMN1; SMN2

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 4 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