SCHEMBL4694387

SCHEMBL4694387

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
ALDH1A1 P00352 3/20 0.40
CHRNA7 P36544 2/20 0.39
KCNH2 Q12809 2/20 0.39
CCR5 P51681 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CACNA1G O43497 1/20 0.38
P2RX7 Q99572 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4694167 0.93 HCRTR1 (0.48) GAAMAPTMEN1KMT2AHCRTR1
SCHEMBL4695648 0.93 HCRTR1 (0.48) GAAMAPTMEN1KMT2AHCRTR1
SCHEMBL4691905 0.93 HCRTR1 (0.47) GAAMAPTMEN1KMT2AHCRTR1
SCHEMBL4694356 0.93 P2RX7 (0.43) GAAMAPTALDH1A1CCR5SMN1; SMN2
SCHEMBL4692676 0.93 P2RX7 (0.45) GAAMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL4692218 0.91 CCR5 (0.42) GAAMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL4694791 0.90 MAPT (0.47) GAAMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL4691764 0.90 CCR5 (0.42) GAAMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL4691872 0.89 HCRTR1 (0.47) GAAMAPTHCRTR1HCRTR2ALDH1A1
SCHEMBL4692889 0.89 MAPT (0.45) GAAMAPTHCRTR1HCRTR2ALDH1A1

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