SCHEMBL4693334

SCHEMBL4693334

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccccc4Cl)CC3C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
CCR5 P51681 7/20 0.43
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
AVPR2 P30518 2/20 0.42
AGTR1 P30556 1/20 0.42
P2RX7 Q99572 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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 0.94 MAPT (0.45) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4691764 0.93 CCR5 (0.42) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4690668 0.92 ALDH1A1 (0.43) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4692218 0.92 CCR5 (0.42) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4694356 0.92 P2RX7 (0.43) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4691905 0.92 HCRTR1 (0.47) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4694235 0.92 ALDH1A1 (0.43) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4693486 0.92 HCRTR1 (0.48) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4693961 0.92 HCRTR1 (0.46) ALDH1A1MAPTCCR5GAASMN1; SMN2
SCHEMBL4694619 0.91 MAPT (0.42) ALDH1A1MAPTCCR5GAASMN1; SMN2

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