SCHEMBL4691886

SCHEMBL4691886

COc1ccc(-n2ncc(C(=O)N3CC4CN(CCCNC(=O)c5ccc(C)c(Cl)c5)CC4C3)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
DRD4 P21917 4/20 0.42
DRD2 P14416 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD3 P35462 1/20 0.41
MAPK14 Q16539 4/20 0.40
MAPK11 Q15759 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
PTGS2 P35354 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4690976 0.93 MAPT (0.45) MAPTALDH1A1LMNAMAPK14MAPK11
SCHEMBL4692066 0.91 MAPK14 (0.45) MAPTLMNAMAPK14MAPK11TP53
SCHEMBL4691705 0.91 MAPK14 (0.49) MAPTLMNAMAPK14MAPK11SMN1; SMN2
SCHEMBL4691889 0.88 MAPT (0.43) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL4691218 0.82 DRD2 (0.45) MAPTDRD4DRD2DRD3SLC6A4
SCHEMBL4690978 0.80 MAPT (0.40) MAPTALDH1A1LMNAMAPK14MAPK11
SCHEMBL4692067 0.80 MAPT (0.41) MAPTLMNAMAPK14SMN1; SMN2TP53
SCHEMBL4691706 0.79 MAPT (0.47) MAPTALDH1A1LMNAMAPK14MAPK11
SCHEMBL4690504 0.78 HCRTR1 (0.50) DRD4DRD2KMT2ADRD3
SCHEMBL4691870 0.78 F10 (0.50) DRD4DRD2MEN1ALDH1A1KMT2A

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