SCHEMBL4693560

SCHEMBL4693560

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4ccc(Cl)nc4N(C)C)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 2/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4693054 0.94 SLC6A4 (0.40) SLC6A4SLC6A2HTR2AHTR2CMEN1
SCHEMBL4693564 0.86 HRH4 (0.38) SMN1; SMN2LMNAGAAMAPTALDH1A1
SCHEMBL4690666 0.85 NTRK1 (0.44) SLC6A4MEN1KMT2ASMN1; SMN2DRD2
SCHEMBL4696371 0.84 TSHR (0.44) SLC6A4SLC6A2SMN1; SMN2LMNAGAA
SCHEMBL4693332 0.83 SLC6A4 (0.45) SLC6A4SLC6A2SMN1; SMN2DRD2DRD4
SCHEMBL4694269 0.83 HCRTR1 (0.48) SLC6A4MEN1KMT2ASMN1; SMN2DRD2
SCHEMBL4694433 0.83 P2RX7 (0.45) MEN1KMT2ASMN1; SMN2DRD2DRD4
SCHEMBL4692993 0.83 TSHR (0.43) SLC6A4SLC6A2SMN1; SMN2LMNAGAA
SCHEMBL4690478 0.83 MEN1 (0.41) SLC6A4SLC6A2MEN1KMT2ASMN1; SMN2
SCHEMBL4691761 0.83 SLC6A2 (0.44) SLC6A4SLC6A2KMT2ASMN1; SMN2DRD2

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