SCHEMBL4694245

SCHEMBL4694245

Cc1ccc(NCCCN2CC3CN(C(=O)c4c(F)cccc4C(F)(F)F)CC3C2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 2/20 0.41
CCR5 P51681 10/20 0.40
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CCL5 P13501 4/20 0.38
RAF1 P04049 1/20 0.38
ARAF P10398 1/20 0.38
BRAF P15056 1/20 0.38
KCNH2 Q12809 1/20 0.38
RIPK1 Q13546 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
SCHEMBL4694791 0.92 MAPT (0.47) MAPTGAAEPHX2CCR5ALDH1A1
SCHEMBL4690678 0.91 ALDH1A1 (0.41) MAPTGAACCR5ALDH1A1CCL5
SCHEMBL4695365 0.91 BRAF (0.39) MAPTGAAEPHX2CCR5ALDH1A1
SCHEMBL4691999 0.90 MAPT (0.51) MAPTGAAEPHX2CCR5ALDH1A1
SCHEMBL4691185 0.88 P2RX7 (0.43) MAPTCCR5ALDH1A1HCRTR1HCRTR2
SCHEMBL4694236 0.87 EPHX2 (0.44) MAPTGAAEPHX2ALDH1A1
SCHEMBL4694025 0.87 P2RX7 (0.48)
SCHEMBL4693018 0.87 NPY2R (0.47) MAPTGAACCR5ALDH1A1
SCHEMBL3281865 0.86 CCR5 (0.52) MAPTGAACCR5ALDH1A1HCRTR1
SCHEMBL4695514 0.86 MAPT (0.40) MAPTGAACCR5ALDH1A1HCRTR1

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