SCHEMBL4690305

SCHEMBL4690305

COc1cc(OC)c(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45
CCR5 P51681 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 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
SCHEMBL4692326 0.93 CCR5 (0.51) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL4693892 0.92 HCRTR1 (0.47) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4693537 0.90 MAPT (0.48) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL4695900 0.90 MAPT (0.51) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL4691831 0.88 MAPT (0.51) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL4689516 0.87 MAPT (0.61) MAPTLMNAALOX12KMT2ASMN1; SMN2
SCHEMBL4690310 0.86 MAPT (0.46) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4690926 0.86 MAPT (0.54) MAPTLMNAALOX12KMT2ASMN1; SMN2
SCHEMBL4691400 0.86 KMT2A (0.50) MAPTLMNAKMT2AMEN1HPGD
SCHEMBL4690401 0.85 TP53 (0.47) MAPTLMNAKMT2ASMN1; SMN2HPGD

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