SCHEMBL4694338

SCHEMBL4694338

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4sccc4Cl)CC3C2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
TERT O14746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 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
SCHEMBL4694343 0.85 ALDH1A1 (0.43) KMT2AMEN1RAB9ALMNAMAPT
SCHEMBL4694326 0.84 TP53 (0.44) TP53KMT2AMEN1RAB9ALMNA
SCHEMBL4694331 0.83 TP53 (0.47) TP53KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3281859 0.83 CCR5 (0.52) TP53KMT2AMEN1LMNASMN1; SMN2
SCHEMBL4690401 0.83 TP53 (0.47) TP53KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4694242 0.83 TP53 (0.45) TP53KMT2AMEN1LMNAMAPT
SCHEMBL4695971 0.83 LMNA (0.50) TP53KMT2AMEN1LMNAMAPT
SCHEMBL4695934 0.83 HCRTR1 (0.47) TP53KMT2AMEN1LMNAMAPT
SCHEMBL4692884 0.83 LMNA (0.48) TP53KMT2AMEN1LMNAMAPT
SCHEMBL4691600 0.83 GFER (0.48) TP53KMT2AMEN1RAB9ALMNA

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