SCHEMBL4693442

SCHEMBL4693442

NC(=O)C1[C@@H]2CN(C(=O)c3ccnc4ccccc34)CC2CN1CC[CH]c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.37
CCR3 P51677 2/20 0.35
HCRTR2 O43614 8/20 0.35
HCRTR1 O43613 5/20 0.35
MAPT P10636 1/20 0.34
PDE2A O00408 1/20 0.34
CHRM2 P08172 2/20 0.34

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
SCHEMBL5236228 0.83 HCRTR2 (0.45) HCRTR2HCRTR1
SCHEMBL5232784 0.83 CHRNB2 (0.43)
SCHEMBL4691766 0.83 CHRNB2 (0.47) MAPT
SCHEMBL4692182 0.82 HCRTR1 (0.47) CCR3HCRTR2HCRTR1
SCHEMBL5231921 0.82 P2RX7 (0.40)
SCHEMBL5233193 0.81 HTT (0.42) MAPTPDE2A
SCHEMBL4691215 0.81 DPP4 (0.44) HCRTR2HCRTR1
SCHEMBL4695167 0.80 CYP2D6 (0.38)
SCHEMBL4696396 0.80 TSHR (0.41) HCRTR2HCRTR1MAPT
SCHEMBL4694358 0.80 DPP4 (0.45) CCR3PDE2A

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