SCHEMBL4695755

SCHEMBL4695755

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4cc(F)cc(C(F)(F)F)c4)CC3C2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.36
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
RHOC P08134 4/20 0.35
RHOA P61586 4/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.33
NNMT P40261 1/20 0.33
BDKRB1 P46663 1/20 0.33
RORC P51449 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
SCHEMBL4690843 0.90 GAA (0.41) TACR1TSHRGAACNR1
SCHEMBL4694154 0.89 LMNA (0.43)
SCHEMBL4691228 0.85 HSD11B1 (0.38) TACR1RORC
SCHEMBL4691879 0.85 HSD11B1 (0.36) TACR1ALDH1A1RORC
SCHEMBL4694815 0.84 HCRTR1 (0.37) GAA
SCHEMBL4693169 0.83 HCRTR1 (0.50) TACR1SCN5ASCN9A
SCHEMBL4692106 0.83 HCRTR1 (0.50)
SCHEMBL4694241 0.82 HCRTR1 (0.39) GAARORC
SCHEMBL4694788 0.82 HCRTR1 (0.45) GAA
SCHEMBL4692703 0.82 HCRTR1 (0.48) SCN5ASCN9AALDH1A1

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 3 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