SCHEMBL4694384

SCHEMBL4694384

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4cccc(F)c4Cl)CC3C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 2/20 0.42
DRD2 P14416 7/20 0.41
DRD3 P35462 6/20 0.41
DRD4 P21917 4/20 0.41
ADRA1A P35348 3/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
SMYD2 Q9NRG4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4692672 0.92 SMYD2 (0.45) SLC6A4SLC6A2DRD2DRD3DRD4
SCHEMBL4692216 0.91 SLC6A2 (0.43) SLC6A4SLC6A2DRD2DRD3DRD4
SCHEMBL4691761 0.89 SLC6A2 (0.44) SLC6A4SLC6A2DRD2DRD3DRD4
SCHEMBL4691995 0.89 SIGMAR1 (0.45) SLC6A4SLC6A2DRD2DRD3DRD4
SCHEMBL4695321 0.89 TSHR (0.43) LMNASMN1; SMN2
SCHEMBL4693332 0.88 SLC6A4 (0.45) SLC6A4SLC6A2DRD2DRD3DRD4
SCHEMBL3284096 0.87 SMYD2 (0.44) SLC6A4SLC6A2DRD2DRD3DRD4
SCHEMBL4690744 0.87 NTRK1 (0.42) SLC6A4DRD2DRD4LMNASMN1; SMN2
SCHEMBL4690664 0.87 SMYD2 (0.43) SLC6A4SLC6A2DRD2DRD3DRD4
SCHEMBL4694387 0.87 GAA (0.41) LMNASMN1; SMN2MEN1KMT2A

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