SCHEMBL4692813

SCHEMBL4692813

COc1ccc(-n2nc(C)cc2C(=O)N2CC3CN(CCCNc4ccc(C)c(Cl)c4)CC3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F10 P00742 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
DHODH Q02127 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HTR7 P34969 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
SCHEMBL4690373 0.92 TSHR (0.41) MAPTALDH1A1TSHRLMNAKMT2A
SCHEMBL4692808 0.88 MAPT (0.48) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4689521 0.85 MAPT (0.57) MAPTALDH1A1TSHRLMNAMEN1
SCHEMBL4691889 0.84 MAPT (0.43) MAPTALDH1A1TSHRLMNAMEN1
SCHEMBL4694629 0.83 ALDH1A1 (0.40) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL4693427 0.83 MAPT (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4690931 0.83 MAPT (0.51) MAPTALDH1A1TSHRLMNAMEN1
SCHEMBL4692332 0.82 CCR5 (0.51) MAPTALDH1A1TSHRLMNAMEN1
SCHEMBL4695902 0.81 HCRTR2 (0.48) MAPTALDH1A1HTTHCRTR1HCRTR2
SCHEMBL4691840 0.81 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT

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