SCHEMBL4692216

SCHEMBL4692216

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4cccc(Cl)c4F)CC3C2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
DRD2 P14416 10/20 0.42
DRD4 P21917 8/20 0.42
DRD3 P35462 8/20 0.42
ADRA1A P35348 4/20 0.42
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1B P35368 2/20 0.42
SMYD2 Q9NRG4 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL4691761 0.93 SLC6A2 (0.44) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4693332 0.92 SLC6A4 (0.45) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4694384 0.91 SLC6A4 (0.42) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4692672 0.90 SMYD2 (0.45) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL3284096 0.89 SMYD2 (0.44) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4691995 0.89 SIGMAR1 (0.45) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4690664 0.88 SMYD2 (0.43) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4695321 0.88 TSHR (0.43) LMNASMN1; SMN2MAPK14
SCHEMBL4692997 0.88 SMYD2 (0.41) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4693959 0.88 HCRTR1 (0.45) SLC6A2SLC6A4DRD2DRD4DRD3

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