SCHEMBL4695952

SCHEMBL4695952

Cc1ccc(NCCCN2CC3CN(C(=O)c4cccc(N(C)C)c4)CC3C2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.42
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
AGTR1 P30556 1/20 0.40
CCR5 P51681 2/20 0.40
LMNA P02545 2/20 0.39
HTR1A P08908 2/20 0.39
NAMPT P43490 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
HTT P42858 1/20 0.38
CACNA1B Q00975 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 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
SCHEMBL4692075 0.90 MAPT (0.43) MAPTALDH1A1GAASMN1; SMN2AGTR1
SCHEMBL4691640 0.88 MAPT (0.54) MAPTALDH1A1GAASMN1; SMN2AGTR1
SCHEMBL4693613 0.87 GFER (0.49) MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL4694155 0.86 NPY2R (0.48) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4695950 0.86 TERT (0.45) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL3281865 0.84 CCR5 (0.52) MAPTALDH1A1GAASMN1; SMN2AGTR1
SCHEMBL4695974 0.83 ALDH1A1 (0.43) MAPTALDH1A1GAASMN1; SMN2AGTR1
SCHEMBL4691224 0.83 UBE2M (0.45) MAPTALDH1A1GAASMN1; SMN2AGTR1
SCHEMBL4693221 0.83 CHRNB2 (0.45) MAPTALDH1A1GAALMNAHTT
SCHEMBL4690636 0.83 ALDH1A1 (0.41) MAPTALDH1A1GAASMN1; SMN2AGTR1

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