SCHEMBL5237472

SCHEMBL5237472

CN(C)c1ccccc1C(=O)NCCCc1cccc(N2CC3CN(C(=O)c4c(F)cccc4Cl)CC3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
HCRTR1 O43613 7/20 0.38
HCRTR2 O43614 7/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HDAC3 O15379 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL5236794 0.91 POLB (0.41) POLBSIGMAR1HCRTR1HCRTR2NPC1
SCHEMBL5236182 0.91 POLB (0.46) POLBSIGMAR1HCRTR1HCRTR2NPC1
SCHEMBL5236894 0.89 HCRTR1 (0.38) POLBSIGMAR1HCRTR1HCRTR2NPC1
SCHEMBL5233648 0.88 HCRTR1 (0.42) POLBSIGMAR1HCRTR1HCRTR2NPC1
SCHEMBL5235749 0.88 POLB (0.42) POLBHCRTR1HCRTR2NPC1RAB9A
SCHEMBL5236424 0.88 HCRTR1 (0.43) POLBSIGMAR1HCRTR1HCRTR2NPC1
SCHEMBL5232699 0.87 NAMPT (0.39) SIGMAR1HCRTR1HCRTR2NPC1RAB9A
SCHEMBL5234242 0.87 SCD (0.42) POLBSIGMAR1HCRTR1HCRTR2LMNA
SCHEMBL5239318 0.86 NPC1 (0.43) POLBSIGMAR1HCRTR1HCRTR2NPC1
SCHEMBL5234748 0.86 KMT2A (0.38) POLBSIGMAR1HCRTR1HCRTR2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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