SCHEMBL4690636

SCHEMBL4690636

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccccc4N(C)C)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
AGTR1 P30556 1/20 0.39
CCR5 P51681 5/20 0.38
AVPR2 P30518 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL4692889 0.90 MAPT (0.45) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4693334 0.90 ALDH1A1 (0.45) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4690668 0.88 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4691905 0.88 HCRTR1 (0.47) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4695005 0.88 KDM4E (0.38) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4694235 0.87 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4693486 0.87 HCRTR1 (0.48) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4693961 0.87 HCRTR1 (0.46) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4691764 0.87 CCR5 (0.42) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4694619 0.86 MAPT (0.42) ALDH1A1MAPTGAASMN1; SMN2KDM4E

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