SCHEMBL4691664

SCHEMBL4691664

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4ccc(S(C)(=O)=O)cc4Cl)CC3C2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.40
GPR6 P46095 1/20 0.40
MAPK14 Q16539 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
NR1I2 O75469 1/20 0.38
CACNA1B Q00975 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
SCHEMBL4692993 0.88 TSHR (0.43) LMNASMN1; SMN2MAPK14MAPTGAA
SCHEMBL4694433 0.88 P2RX7 (0.45) LMNASMN1; SMN2NAMPTMAPK14KMT2A
SCHEMBL4693332 0.87 SLC6A4 (0.45) LMNASMN1; SMN2GAADRD2DRD3
SCHEMBL4690666 0.87 NTRK1 (0.44) LMNASMN1; SMN2MAPK14KMT2AMEN1
SCHEMBL4691668 0.86 GPR6 (0.42) LMNASMN1; SMN2GPR6KMT2AMEN1
SCHEMBL4695321 0.85 TSHR (0.43) LMNASMN1; SMN2MAPK14MAPTCYP2C9
SCHEMBL4696371 0.85 TSHR (0.44) LMNASMN1; SMN2MAPK14MAPTGAA
SCHEMBL4694269 0.85 HCRTR1 (0.48) LMNASMN1; SMN2MAPK14KMT2AMEN1
SCHEMBL4693959 0.84 HCRTR1 (0.45) LMNASMN1; SMN2MAPK14GAANPC1
SCHEMBL4691761 0.84 SLC6A2 (0.44) LMNASMN1; SMN2MAPK14KMT2ADRD2

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