SCHEMBL4692885

SCHEMBL4692885

NC(=O)c1ccccc1[CH]CCN1CC2CN(C(=O)c3cnn(-c4ccc(F)cc4)c3N)C[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.44
RIPK2 O43353 1/20 0.42
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL4694466 0.93 RIPK2 (0.50) MAPK14RIPK2LMNARAB9ASMN1; SMN2
SCHEMBL4692257 0.89 PDK1 (0.43) MAPK14LMNASMN1; SMN2HCRTR1HCRTR2
SCHEMBL4694271 0.82 KDM4E (0.39) LMNASMN1; SMN2HCRTR1HCRTR2
SCHEMBL4692888 0.79 MAPK14 (0.49) MAPK14RIPK2HCRTR1HCRTR2
SCHEMBL4690551 0.79 MAPK14 (0.41) MAPK14RIPK2LMNARAB9ASMN1; SMN2
SCHEMBL4694309 0.78 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL4691301 0.77 HCRTR1 (0.44) LMNAHCRTR1HCRTR2
SCHEMBL4689903 0.77 P2RX7 (0.41) MAPK14LMNARAB9A
SCHEMBL4691673 0.77 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL4691928 0.77 MAPK1 (0.41) SMN1; SMN2HCRTR1HCRTR2

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