SCHEMBL4690668

SCHEMBL4690668

CC(=O)c1ccccc1C(=O)N1CC2CN(CCCNc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CCR5 P51681 5/20 0.41
AGTR1 P30556 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
AVPR2 P30518 2/20 0.39
CHRNA7 P36544 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4692889 0.92 MAPT (0.45) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4693334 0.92 ALDH1A1 (0.45) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4691905 0.91 HCRTR1 (0.47) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4693486 0.90 HCRTR1 (0.48) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4693961 0.90 HCRTR1 (0.46) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4694235 0.90 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4691764 0.90 CCR5 (0.42) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4694619 0.89 MAPT (0.42) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4691872 0.89 HCRTR1 (0.47) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4694356 0.89 P2RX7 (0.43) 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 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