SCHEMBL4690733

SCHEMBL4690733

Cc1ccc(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4695934 0.93 HCRTR1 (0.47) HCRTR1HCRTR2TP53KMT2AMEN1
SCHEMBL4694374 0.90 KMT2A (0.48) TP53KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4692884 0.89 LMNA (0.48) TP53KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4690926 0.89 MAPT (0.54) HCRTR1HCRTR2TP53KMT2AMAPT
SCHEMBL4690677 0.89 POLB (0.48) TP53KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4694331 0.88 TP53 (0.47) TP53KMT2ACYP2C9CYP2C19POLB
SCHEMBL4692691 0.86 CYP2C9 (0.49) HCRTR1HCRTR2TP53KMT2AMEN1
SCHEMBL4690401 0.86 TP53 (0.47) TP53KMT2ACYP2C9CYP2C19POLB
SCHEMBL4692942 0.86 CYP2C9 (0.49) TP53KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4694967 0.86 KMT2A (0.48) TP53KMT2AMEN1CYP2C9CYP2C19

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