SCHEMBL4693274

SCHEMBL4693274

Cc1ccc(NCCCN2CC3CN(C(=O)c4cccnc4Br)CC3C2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.50
HCRTR2 O43614 6/20 0.50
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
PDE4B Q07343 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL4690545 0.91 KDM4E (0.41) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL4690614 0.90 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL4754257 0.88 MALT1 (0.46) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL4695198 0.88 KDM4E (0.39) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL4693141 0.88 ALDH1A1 (0.45) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL4693961 0.88 HCRTR1 (0.46) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL3282842 0.87 MALT1 (0.45) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL4693294 0.87 PDE10A (0.42) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL3284097 0.87 CCR5 (0.41) HCRTR1HCRTR2KDM4EGAASMN1; SMN2
SCHEMBL4689933 0.87 MALT1 (0.43) HCRTR1HCRTR2KDM4EGAASMN1; SMN2

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