SCHEMBL2932494

SCHEMBL2932494

Cc1cccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CN)c1-c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HCRTR1 O43613 9/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
SGMS2 Q8NHU3 1/20 0.34
F2 P00734 1/20 0.34
F12 P00748 1/20 0.34
POLB P06746 1/20 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
SCHEMBL2930744 0.90 HCRTR2 (0.37) HCRTR2CYP46A1HCRTR1
SCHEMBL2924244 0.87 CYP46A1 (0.39) HCRTR2CYP46A1HCRTR1
SCHEMBL2932492 0.86 MKNK1 (0.40) HCRTR2MAPTKDM4EALDH1A1CYP46A1
SCHEMBL2923800 0.85 HCRTR1 (0.48) HCRTR2HCRTR1HTT
SCHEMBL2930955 0.84 HCRTR2 (0.38) HCRTR2CYP46A1HCRTR1POLB
SCHEMBL2931914 0.83 HCRTR2 (0.39) HCRTR2CYP46A1HCRTR1POLB
SCHEMBL2931040 0.83 HCRTR2 (0.40) HCRTR2HCRTR1POLB
SCHEMBL2930074 0.83 SLC6A7 (0.35) HCRTR2HCRTR1
SCHEMBL2933639 0.81 PAX8 (0.39) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL2923507 0.80 PAX8 (0.39) HCRTR2HCRTR1

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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed