SCHEMBL4692889

SCHEMBL4692889

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccccc4C)CC3C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CCR5 P51681 4/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GBA1 P04062 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
AGTR1 P30556 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4693334 0.94 ALDH1A1 (0.45) MAPTALDH1A1CCR5SMN1; SMN2GAA
SCHEMBL4690668 0.92 ALDH1A1 (0.43) MAPTALDH1A1CCR5SMN1; SMN2GAA
SCHEMBL4691905 0.92 HCRTR1 (0.47) MAPTALDH1A1CCR5KCNK3KCNK9
SCHEMBL4691872 0.92 HCRTR1 (0.47) MAPTALDH1A1CCR5SMN1; SMN2GAA
SCHEMBL4692676 0.92 P2RX7 (0.45) MAPTALDH1A1CCR5KCNK3KCNK9
SCHEMBL4693486 0.92 HCRTR1 (0.48) MAPTALDH1A1CCR5SMN1; SMN2GAA
SCHEMBL4694235 0.92 ALDH1A1 (0.43) MAPTALDH1A1CCR5KCNK3KCNK9
SCHEMBL4693961 0.92 HCRTR1 (0.46) MAPTALDH1A1CCR5SMN1; SMN2GAA
SCHEMBL4691764 0.91 CCR5 (0.42) MAPTALDH1A1CCR5SMN1; SMN2GAA
SCHEMBL4694619 0.91 MAPT (0.42) MAPTALDH1A1CCR5KCNK3KCNK9

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 6 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
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