SCHEMBL4696423

SCHEMBL4696423

Cc1c(C(=O)N2CC3CN(c4cccc(CCC(N)=O)c4)CC3C2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 3/20 0.46
SPR P35270 5/20 0.43
CCR1 P32246 4/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5229245 0.93 SPR (0.44) EIF4A3SPRCCR1NPC1RAB9A
SCHEMBL5231927 0.79 CYP2C9 (0.42) RAB9AL3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL5230484 0.79 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL5239352 0.78 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL5238002 0.78 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4692413 0.77 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL5235906 0.77 HCRTR1 (0.46) KMT2AMEN1NPC1HCRTR1HCRTR2
SCHEMBL5231911 0.77 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL5238120 0.77 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL5233800 0.77 KMT2A (0.37) KMT2AHCRTR1HCRTR2ALDH1A1MAPK1

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 1 patent. 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