SCHEMBL4696301

SCHEMBL4696301

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4ccccc4S(C)(=O)=O)CC3C2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TNF P01375 1/20 0.38
EED O75530 1/20 0.36
SLC9A1 P19634 1/20 0.36
CACNA1B Q00975 2/20 0.35
CCR5 P51681 2/20 0.34
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
CHRM2 P08172 1/20 0.34
HRH1 P35367 2/20 0.33
CCR3 P51677 2/20 0.33
NAAA Q02083 1/20 0.33
GBA1 P04062 1/20 0.33
CCL5 P13501 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL4692886 0.89 ALDH1A1 (0.42) TNFCCR5HCRTR1HCRTR2GBA1
SCHEMBL4691993 0.87 HTT (0.36) LMNATNFCCR5HCRTR1HCRTR2
SCHEMBL4691904 0.86 HCRTR1 (0.46) LMNATNFHCRTR1HCRTR2
SCHEMBL4693484 0.86 HCRTR1 (0.48) TNFCCR5HCRTR1HCRTR2GBA1
SCHEMBL4694224 0.86 TNF (0.39) TNFCCR5HCRTR1HCRTR2GBA1
SCHEMBL4691868 0.85 HCRTR1 (0.47) LMNATNFCCR5HCRTR1HCRTR2
SCHEMBL4694354 0.85 P2RX7 (0.44) TNFHCRTR1HCRTR2
SCHEMBL4690542 0.85 HCRTR1 (0.39) TNFHCRTR1HCRTR2
SCHEMBL4690634 0.85 TNF (0.38) LMNATNFCCR5HCRTR1HCRTR2
SCHEMBL4691405 0.85 HCRTR1 (0.48) TNFHCRTR1HCRTR2

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