SCHEMBL4690539

SCHEMBL4690539

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4cccnc4C)CC3C2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.45
MAPT P10636 5/20 0.44
MALT1 Q9UDY8 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
GBA1 P04062 1/20 0.42
HTT P42858 1/20 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
SCHEMBL4690604 0.91 TP53 (0.44) TP53MAPTMALT1DRD2DRD4
SCHEMBL4693136 0.90 MAPT (0.46) TP53MAPTMALT1KMT2ALMNA
SCHEMBL4695194 0.90 TP53 (0.42) TP53MAPTMALT1DRD2DRD4
SCHEMBL5662686 0.90 MALT1 (0.50) TP53MAPTMALT1DRD2DRD4
SCHEMBL4689928 0.88 MALT1 (0.47) TP53MAPTMALT1DRD2DRD4
SCHEMBL4693286 0.88 TP53 (0.45) TP53MAPTMALT1DRD2DRD4
SCHEMBL4692884 0.88 LMNA (0.48) TP53MAPTKMT2ALMNAALDH1A1
SCHEMBL3282221 0.86 CCR5 (0.51) TP53MAPTLMNAALDH1A1HTT
SCHEMBL4694615 0.86 ALDH1A1 (0.46) TP53MAPTKMT2ALMNAALDH1A1
SCHEMBL4691527 0.86 DRD2 (0.47) TP53DRD2DRD4DRD3KMT2A

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 6 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
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 disclosed
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 disclosed