SCHEMBL4694297

SCHEMBL4694297

Cc1ccc(NCCCN2CC3CN(C(=O)c4cc(Br)ccc4Cl)CC3C2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4696360 0.94 ALDH1A1 (0.38) SMN1; SMN2GAAALDH1A1MAPTL3MBTL1
SCHEMBL4696374 0.93 ALDH1A1 (0.40) KCNK3KCNK9SMN1; SMN2GAAALDH1A1
SCHEMBL4692994 0.93 AVPR2 (0.42) SMN1; SMN2GAAALDH1A1MAPTL3MBTL1
SCHEMBL4692694 0.91 LMNA (0.46) KCNK3KCNK9SMN1; SMN2GAAALDH1A1
SCHEMBL4691546 0.88 SMN1; SMN2 (0.40) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL4693334 0.88 ALDH1A1 (0.45) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL4693961 0.87 HCRTR1 (0.46) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL4695322 0.87 TSHR (0.46) SMN1; SMN2GAAALDH1A1MAPTL3MBTL1
SCHEMBL4692350 0.86 HCRTR1 (0.40) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL3284097 0.86 CCR5 (0.41) SMN1; SMN2GAAALDH1A1MAPTHTT

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