SCHEMBL4696047

SCHEMBL4696047

Cc1ccc(C(=O)NCCCN2CC3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)CC3C2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.47
PROKR1 Q8TCW9 6/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.41
GAA P10253 2/20 0.40
RAD52 P43351 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 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
SCHEMBL4696048 0.83 FPR2 (0.48) FPR2PROKR1GAA
SCHEMBL3283550 0.79 SMN1; SMN2 (0.49) LMNASMN1; SMN2NPC1MAPK14KDM4E
SCHEMBL4694263 0.78 SLC6A2 (0.51) GAAKDM4EKMT2A
SCHEMBL4690478 0.77 MEN1 (0.41) LMNASMN1; SMN2NPC1GAAMAPK14
SCHEMBL4691639 0.77 SMYD2 (0.48) LMNASMN1; SMN2KDM4EDRD2DRD4
SCHEMBL4691221 0.77 L3MBTL3 (0.45) LMNASMN1; SMN2GAARAD52MAPK14
SCHEMBL4694306 0.76 FPR2 (0.56) FPR2PROKR1
SCHEMBL4693332 0.75 SLC6A4 (0.45) LMNASMN1; SMN2GAAKDM4EDRD2
SCHEMBL4690666 0.75 NTRK1 (0.44) LMNASMN1; SMN2GAAMAPK14KMT2A
SCHEMBL4694269 0.75 HCRTR1 (0.48) LMNASMN1; SMN2GAAMAPK14KMT2A

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