SCHEMBL4693697

SCHEMBL4693697

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccccc4OC(F)(F)F)CC3C2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.51
HCRTR2 O43614 6/20 0.51
MGLL Q99685 2/20 0.42
LIPE Q05469 1/20 0.42
CACNA1B Q00975 2/20 0.40
NPY2R P49146 2/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CCR1 P32246 1/20 0.39
PNLIP P16233 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4691406 0.91 HCRTR1 (0.48) HCRTR1HCRTR2NPY2RALDH1A1MAPT
SCHEMBL4692337 0.89 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1MAPTKDM4E
SCHEMBL4692889 0.88 MAPT (0.45) HCRTR1HCRTR2ALDH1A1MAPTKDM4E
SCHEMBL4693334 0.88 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL4693690 0.87 HCRTR1 (0.51) HCRTR1HCRTR2MGLLLIPENPY2R
SCHEMBL4693018 0.87 NPY2R (0.47) MGLLNPY2RALDH1A1MAPTKDM4E
SCHEMBL4691905 0.86 HCRTR1 (0.47) HCRTR1HCRTR2NPY2RALDH1A1MAPT
SCHEMBL4690668 0.86 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL4693956 0.85 HCRTR1 (0.49) HCRTR1HCRTR2NPY2RALDH1A1MAPT
SCHEMBL4694235 0.85 ALDH1A1 (0.43) MGLLALDH1A1MAPTKDM4EGAA

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