SCHEMBL4690478

SCHEMBL4690478

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4c(C)cc(Cl)nc4C)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
CCR5 P51681 5/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CCL5 P13501 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4690482 0.86 CCR5 (0.43) SMN1; SMN2LMNAGAACCR5MAPT
SCHEMBL4691509 0.85 CCR5 (0.51) SMN1; SMN2LMNACCR5SLC6A2SLC6A4
SCHEMBL4696106 0.85 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL4693309 0.85 LMNA (0.43) KMT2ASMN1; SMN2LMNAGAACCR5
SCHEMBL4691639 0.84 SMYD2 (0.48) SMN1; SMN2LMNACCR5ALDH1A1SLC6A2
SCHEMBL4691221 0.84 L3MBTL3 (0.45) KMT2ASMN1; SMN2LMNAGAAMAPT
SCHEMBL4695512 0.84 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL4691995 0.83 SIGMAR1 (0.45) GAACCR5MAPTALDH1A1SLC6A2
SCHEMBL4693560 0.83 SLC6A4 (0.41) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL4693332 0.83 SLC6A4 (0.45) SMN1; SMN2LMNAGAASLC6A2SLC6A4

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