SCHEMBL4690634

SCHEMBL4690634

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4ccccc4N(C)C)CC3C2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCRTR1 O43613 9/20 0.34
HCRTR2 O43614 9/20 0.34
GBA1 P04062 1/20 0.34
CCR5 P51681 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4692886 0.90 ALDH1A1 (0.42) TNFMEN1KMT2AALDH1A1MAPT
SCHEMBL4695000 0.88 HCRTR1 (0.34) TNFMAPTLMNAPOLBHCRTR1
SCHEMBL4694224 0.87 TNF (0.39) TNFALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4691904 0.87 HCRTR1 (0.46) TNFMEN1KMT2AALDH1A1MAPT
SCHEMBL4693484 0.87 HCRTR1 (0.48) TNFMEN1KMT2AALDH1A1HCRTR1
SCHEMBL4691868 0.86 HCRTR1 (0.47) TNFKMT2AALDH1A1MAPTHTT
SCHEMBL4694354 0.86 P2RX7 (0.44) TNFHCRTR1HCRTR2
SCHEMBL4695197 0.86 HCRTR1 (0.38) TNFMEN1KMT2AMAPTHCRTR1
SCHEMBL4691405 0.86 HCRTR1 (0.48) TNFALDH1A1HTTPOLBHCRTR1
SCHEMBL4694616 0.86 TNF (0.38) TNFKMT2AALDH1A1HCRTR1HCRTR2

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