SCHEMBL4694056

SCHEMBL4694056

NC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CN(CC[CH]c3ccccc3)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.41
HTR1A P08908 12/20 0.38
HTR7 P34969 12/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37
HTR6 P50406 1/20 0.37
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL4692781 0.78 PKM (0.36) ALDH1A1LMNAMEN1KMT2A
SCHEMBL4694943 0.78 NPC1 (0.34) ALDH1A1MAPTKMT2A
SCHEMBL4695377 0.75 CCR5 (0.37)
SCHEMBL4692848 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL4694111 0.73 KMT2A (0.34) HTR1AHTR7ALDH1A1KMT2A
SCHEMBL4694094 0.73 CHRNB2 (0.44) ALDH1A1GAA
SCHEMBL4694116 0.72 HCRTR2 (0.38)
SCHEMBL4692061 0.71 CCR5 (0.37) ALDH1A1LMNAMAPT
SCHEMBL4694498 0.71 CCR5 (0.37)
SCHEMBL25378361 0.71 PREP (0.56) PREPHTR1AHTR7ALDH1A1MEN1

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