SCHEMBL4690976

SCHEMBL4690976

Cc1ccc(-n2ncc(C(=O)N3CC4CN(CCCNC(=O)c5ccc(C)c(Cl)c5)CC4C3)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 5/20 0.45
MAPK14 Q16539 7/20 0.42
MAPK11 Q15759 4/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
LMNA P02545 4/20 0.41
RAB9A P51151 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK10 P53779 1/20 0.39
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
KIT P10721 1/20 0.39
DDR1 Q08345 1/20 0.39
DDR2 Q16832 1/20 0.39
MYLK4 Q86YV6 1/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
RPS6KA6 Q9UK32 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
SCHEMBL4692066 0.94 MAPK14 (0.45) MAPTTP53MAPK14MAPK11LMNA
SCHEMBL4691705 0.94 MAPK14 (0.49) MAPTTP53MAPK14MAPK11LMNA
SCHEMBL4691886 0.93 MAPT (0.45) MAPTTP53MAPK14MAPK11SLC6A4
SCHEMBL4690978 0.88 MAPT (0.40) MAPTTP53MAPK14MAPK11LMNA
SCHEMBL4692067 0.82 MAPT (0.41) MAPTTP53MAPK14LMNA
SCHEMBL4691706 0.81 MAPT (0.47) MAPTTP53MAPK14MAPK11LMNA
SCHEMBL4692347 0.81 DRD2 (0.42) MAPTTP53MAPK14SLC6A2SLC6A4
SCHEMBL4691889 0.80 MAPT (0.43) MAPTTP53MAPK14LMNAALDH1A1
SCHEMBL4690666 0.80 NTRK1 (0.44) MAPTMAPK14SLC6A4LMNA
SCHEMBL4693332 0.80 SLC6A4 (0.45) SLC6A2SLC6A4LMNA

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