SCHEMBL4694305

SCHEMBL4694305

Cc1ccc(C(CC(N)=O)N2CC3CN(S(=O)(=O)c4c(C)nn(C)c4C)CC3C2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 19/20 0.50
PROKR1 Q8TCW9 19/20 0.50
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4692448 0.85 EPHX2 (0.46) HTT
SCHEMBL4695296 0.84 ALDH1A1 (0.48) USP2LMNATSHRHTTSMN1; SMN2
SCHEMBL4694265 0.84 HCRTR1 (0.38) FPR2PROKR1USP2LMNATSHR
SCHEMBL3283680 0.81 MAPT (0.41) USP2LMNAHTTSMN1; SMN2
SCHEMBL4693291 0.78 ALDH1A1 (0.44) HTT
SCHEMBL4690881 0.78 SMN1; SMN2 (0.40) LMNASMN1; SMN2
SCHEMBL4695193 0.78 TRPV4 (0.40)
SCHEMBL3286926 0.77 TNF (0.41)
SCHEMBL4693914 0.76 LMNA (0.34) USP2LMNATSHRHTTSMN1; SMN2
SCHEMBL4695666 0.76 SMN1; SMN2 (0.42) PROKR1SMN1; SMN2

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