SCHEMBL4690545

SCHEMBL4690545

Cc1ccc(NCCCN2CC3CN(C(=O)c4cccnc4C)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HCRTR1 O43613 7/20 0.41
HCRTR2 O43614 7/20 0.41
MALT1 Q9UDY8 1/20 0.40
PDE4B Q07343 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CCR5 P51681 2/20 0.39
GRM5 P41594 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4690614 0.92 HCRTR1 (0.42) KDM4EGAASMN1; SMN2MAPTTP53
SCHEMBL4693274 0.91 HCRTR1 (0.50) KDM4EGAASMN1; SMN2MAPTTP53
SCHEMBL4754257 0.90 MALT1 (0.46) KDM4EGAASMN1; SMN2MAPTTP53
SCHEMBL4695198 0.90 KDM4E (0.39) KDM4EGAASMN1; SMN2MAPTTP53
SCHEMBL4693141 0.90 ALDH1A1 (0.45) KDM4EGAASMN1; SMN2MAPTHCRTR1
SCHEMBL3282842 0.89 MALT1 (0.45) KDM4EGAASMN1; SMN2MAPTTP53
SCHEMBL4693294 0.88 PDE10A (0.42) KDM4EGAASMN1; SMN2MAPTTP53
SCHEMBL4689933 0.88 MALT1 (0.43) KDM4EGAASMN1; SMN2MAPTTP53
SCHEMBL4693334 0.88 ALDH1A1 (0.45) KDM4EGAASMN1; SMN2MAPTALDH1A1
SCHEMBL4692889 0.88 MAPT (0.45) KDM4EGAASMN1; SMN2MAPTTP53

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