SCHEMBL4692849

SCHEMBL4692849

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4cc5ccccc5o4)CC3C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
MMP13 P45452 1/20 0.49
DRD2 P14416 9/20 0.48
HTR1A P08908 7/20 0.48
HTR2A P28223 7/20 0.48
HTR2C P28335 6/20 0.48
DRD4 P21917 6/20 0.48
DRD1 P21728 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4692853 0.86 RAB9A (0.52) DRD3SLC6A4SLC6A2RAB9ANPC1
SCHEMBL4691639 0.85 SMYD2 (0.48) DRD3SLC6A4SLC6A2DRD2DRD4
SCHEMBL4693332 0.83 SLC6A4 (0.45) DRD3SLC6A4SLC6A2DRD2DRD4
SCHEMBL4690664 0.82 SMYD2 (0.43) DRD3SLC6A4SLC6A2DRD2DRD4
SCHEMBL4691744 0.82 SLC6A4 (0.51) DRD3SLC6A4SLC6A2DRD2HTR1A
SCHEMBL4691221 0.81 L3MBTL3 (0.45) L3MBTL1
SCHEMBL4694263 0.81 SLC6A2 (0.51) SLC6A4SLC6A2RAB9A
SCHEMBL4693959 0.81 HCRTR1 (0.45) DRD3SLC6A4SLC6A2DRD2DRD4
SCHEMBL4691761 0.81 SLC6A2 (0.44) DRD3SLC6A4SLC6A2DRD2DRD4
SCHEMBL4691509 0.81 CCR5 (0.51) DRD3SLC6A4SLC6A2DRD2DRD4

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