SCHEMBL4690926

SCHEMBL4690926

COc1ccc(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
LMNA P02545 2/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL4695900 0.93 MAPT (0.51) MAPTHCRTR1HCRTR2LMNAALOX12
SCHEMBL4691831 0.91 MAPT (0.51) MAPTLMNAALOX12SMN1; SMN2KMT2A
SCHEMBL4689516 0.91 MAPT (0.61) MAPTLMNAALOX12SMN1; SMN2KMT2A
SCHEMBL4692326 0.89 CCR5 (0.51) MAPTLMNAALOX12SMN1; SMN2KMT2A
SCHEMBL4690733 0.89 HCRTR1 (0.46) MAPTHCRTR1HCRTR2KMT2ATP53
SCHEMBL4693609 0.87 SMN1; SMN2 (0.52) MAPTLMNAALOX12SMN1; SMN2KMT2A
SCHEMBL4690931 0.86 MAPT (0.51) MAPTHCRTR1HCRTR2LMNASMN1; SMN2
SCHEMBL4692884 0.86 LMNA (0.48) MAPTLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL4690305 0.86 MAPT (0.49) MAPTLMNAALOX12SMN1; SMN2KMT2A
SCHEMBL4691400 0.86 KMT2A (0.50) MAPTHCRTR1HCRTR2LMNAKMT2A

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