SCHEMBL4692808

SCHEMBL4692808

COc1ccc(-n2nc(C)cc2C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL4690368 0.92 KMT2A (0.41) MAPTLMNAKMT2ATP53
SCHEMBL4692813 0.88 MAPT (0.44) MAPTLMNASMN1; SMN2HTTKMT2A
SCHEMBL4689516 0.85 MAPT (0.61) MAPTLMNAALOX12SMN1; SMN2THRB
SCHEMBL4694624 0.83 POLB (0.44) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL4693420 0.82 MAPT (0.45) MAPTLMNAALOX12SMN1; SMN2THRB
SCHEMBL4690926 0.82 MAPT (0.54) MAPTLMNAALOX12SMN1; SMN2THRB
SCHEMBL4692326 0.82 CCR5 (0.51) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL4691831 0.80 MAPT (0.51) MAPTLMNAALOX12SMN1; SMN2KMT2A
SCHEMBL4695900 0.80 MAPT (0.51) MAPTLMNAALOX12SMN1; SMN2KMT2A
SCHEMBL4690305 0.80 MAPT (0.49) MAPTLMNAALOX12SMN1; SMN2KMT2A

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