SCHEMBL4694244

SCHEMBL4694244

Cc1c(C(=O)N2CC3CN(CC[CH]c4ccccc4)C[C@H]3C2)cnn1-c1ccc(C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.45
SPR P35270 8/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC9A1 P19634 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
HSD11B1 P28845 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PTGS2 P35354 1/20 0.37
HPGD P15428 1/20 0.36
CCR5 P51681 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL4691732 0.87 KDM4E (0.43) ALDH1A1MAPTHSD11B1MAPK11MAPK14
SCHEMBL4690864 0.84 RIPK2 (0.40) EIF4A3SPRSLC9A1SLC9A2MAPK11
SCHEMBL4694094 0.83 CHRNB2 (0.44) ALDH1A1HPGDCCR5
SCHEMBL4693316 0.82 EIF4A3 (0.39) EIF4A3MAPK14PTGS2HCRTR1HCRTR2
SCHEMBL4691531 0.81 HCRTR1 (0.41) CCR5HCRTR1HCRTR2
SCHEMBL4690551 0.80 MAPK14 (0.41) ALDH1A1MAPK11MAPK14PTGS2HPGD
SCHEMBL4694116 0.78 HCRTR2 (0.38) CCR5HCRTR1HCRTR2
SCHEMBL4693574 0.78 CCR5 (0.40) ALDH1A1CCR5HCRTR1HCRTR2
SCHEMBL4691933 0.77 ALDH1A1 (0.42) ALDH1A1MAPTHSD11B1MAPK11MAPK14
SCHEMBL4690347 0.77 HCRTR2 (0.42) CCR5HCRTR1HCRTR2

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