SCHEMBL4694783

SCHEMBL4694783

COc1ccc(Br)c(C(=O)N2CC3CN(CCCNc4ccc(C)c(Cl)c4)CC3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41
CCR5 P51681 1/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
HPGD P15428 1/20 0.40
GPR6 P46095 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4691840 0.90 MAPT (0.47) MAPTALDH1A1MAPK1USP2LMNA
SCHEMBL4696360 0.90 ALDH1A1 (0.38) MAPTALDH1A1LMNAHTTCCR5
SCHEMBL4690931 0.90 MAPT (0.51) MAPTALDH1A1MAPK1KMT2AUSP2
SCHEMBL4692350 0.90 HCRTR1 (0.40) MAPTALDH1A1KMT2AUSP2LMNA
SCHEMBL4695902 0.89 HCRTR2 (0.48) MAPTALDH1A1HTTHCRTR1HCRTR2
SCHEMBL4692332 0.88 CCR5 (0.51) MAPTALDH1A1MAPK1KMT2AUSP2
SCHEMBL4693961 0.88 HCRTR1 (0.46) MAPTALDH1A1MAPK1KMT2AUSP2
SCHEMBL4689521 0.88 MAPT (0.57) MAPTALDH1A1MAPK1KMT2AUSP2
SCHEMBL4691218 0.87 DRD2 (0.45) MAPTHPGD
SCHEMBL4694080 0.86 HCRTR1 (0.40) MAPTALDH1A1CCR5HCRTR1HCRTR2

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