SCHEMBL4690978

SCHEMBL4690978

Cc1ccc(-n2ncc(C(=O)N3CC4CN(CCCNc5ccc(C)c(Cl)c5)CC4C3)c2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
TP53 P04637 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
AGTR1 P30556 1/20 0.39
LMNA P02545 4/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL4692067 0.94 MAPT (0.41) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL4691706 0.94 MAPT (0.47) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL4691889 0.92 MAPT (0.43) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL4691665 0.92 TP53 (0.41) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL4694966 0.89 NR1H4 (0.42) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL4690976 0.88 MAPT (0.45) MAPTTP53ALDH1A1RAB9ALMNA
SCHEMBL4691686 0.85 MAPT (0.48) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL4691333 0.84 MAPT (0.45) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL4694232 0.84 PDK1 (0.42) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL4692066 0.83 MAPK14 (0.45) MAPTTP53LMNAMAPK11MAPK14

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