SCHEMBL4690677

SCHEMBL4690677

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ccc(Cl)cc4Cl)CC3C2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
P2RX7 Q99572 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 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
SCHEMBL4692691 0.92 CYP2C9 (0.49) POLBKMT2ATP53GAAL3MBTL1
SCHEMBL4690733 0.89 HCRTR1 (0.46) POLBHPGDKMT2ATP53GAA
SCHEMBL4693622 0.88 HPGD (0.44) POLBHPGDKMT2ATP53L3MBTL1
SCHEMBL4694967 0.88 KMT2A (0.48) POLBHPGDKMT2ATP53GAA
SCHEMBL4695934 0.87 HCRTR1 (0.47) POLBHPGDKMT2ATP53GAA
SCHEMBL4692884 0.87 LMNA (0.48) POLBHPGDKMT2ATP53GAA
SCHEMBL4694082 0.87 MEN1 (0.47) POLBHPGDKMT2ATP53GAA
SCHEMBL4692708 0.86 CYP1A2 (0.49) POLBKMT2ATP53GAALMNA
SCHEMBL4694374 0.86 KMT2A (0.48) POLBKMT2ATP53GAALMNA
SCHEMBL4692942 0.86 CYP2C9 (0.49) POLBHPGDKMT2ATP53GAA

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