SCHEMBL4693316

SCHEMBL4693316

NC(=O)c1c(C(=O)N2CC3CN(CC[CH]c4ccccc4)C[C@H]3C2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.39
RAB9A P51151 1/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
KCNK3 O14649 4/20 0.36
KCNK9 Q9NPC2 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
RIPK2 O43353 1/20 0.34
ROCK2 O75116 2/20 0.34
MAPK14 Q16539 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL4690864 0.94 RIPK2 (0.40) EIF4A3RAB9ATP53THRBRIPK2
SCHEMBL4694244 0.82 EIF4A3 (0.45) EIF4A3MAPK14HCRTR1HCRTR2PTGS2
SCHEMBL4691732 0.80 KDM4E (0.43) LMNASMN1; SMN2KDM4EMAPK14HCRTR1
SCHEMBL4690551 0.80 MAPK14 (0.41) RAB9ALMNASMN1; SMN2RIPK2MAPK14
SCHEMBL4694271 0.78 KDM4E (0.39) TP53THRBLMNAKCNK3KCNK9
SCHEMBL4694243 0.78 RIPK2 (0.36) RAB9ARIPK2MAPK14CA12CA1
SCHEMBL3282871 0.78 RIPK2 (0.36) RAB9ARIPK2MAPK14CA12CA1
SCHEMBL4694116 0.78 HCRTR2 (0.38) HCRTR1HCRTR2CHRNB2CHRNA7CHRNA4
SCHEMBL4691933 0.77 ALDH1A1 (0.42) LMNASMN1; SMN2KDM4EMAPK14HCRTR1
SCHEMBL4690489 0.76 PKM (0.38) CHRNB2CHRNA7CHRNA4

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