SCHEMBL4693797

SCHEMBL4693797

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ccc5ccccc5n4)CC3C2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
F2 P00734 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.43
TERT O14746 2/20 0.43
KDM4E B2RXH2 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL4694844 0.87 POLB (0.45) MAPTALDH1A1F2SMN1; SMN2MEN1
SCHEMBL4693802 0.86 MEN1 (0.46) MAPTALDH1A1F2SMN1; SMN2RAB9A
SCHEMBL4691527 0.85 DRD2 (0.47) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL4692884 0.83 LMNA (0.48) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4691600 0.82 GFER (0.48) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL4693710 0.82 HCRTR1 (0.52) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4695665 0.82 TP53 (0.44) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4692164 0.82 LMNA (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3281859 0.82 CCR5 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4693056 0.81 TP53 (0.44) MAPTSMN1; SMN2KMT2ALMNAPOLB

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