SCHEMBL6418199

SCHEMBL6418199

CN(C)c1cccc(C(=O)N2CCC3(CC2)CC(OC(=O)O)=NO3)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
ABL1 P00519 5/20 0.46
BCR P11274 5/20 0.46
HSD11B1 P28845 1/20 0.46
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39
FYN P06241 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CCR5 P51681 1/20 0.39
CACNA1B Q00975 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 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
SCHEMBL6415231 0.85 MAPT (0.49) MAPTLMNASCN5ASCN9AABL1
SCHEMBL6416570 0.84 PKM (0.47) HSD11B1L3MBTL1
SCHEMBL6410682 0.84 MAPT (0.40) MAPTLMNASCN5ASCN9AABL1
SCHEMBL6410053 0.78 MGLL (0.42) ACACBACACA
SCHEMBL6418195 0.78 POLB (0.55) GAA
SCHEMBL2400087 0.78 MAPT (0.52) MAPTLMNASCN5ASCN9AABL1
SCHEMBL6409750 0.77 HPGD (0.47) LMNAABL1BCRHSD11B1L3MBTL1
SCHEMBL6410215 0.77 SLC6A7 (0.42) MAPTLMNAGAA
SCHEMBL6415785 0.76 HTR1A (0.46) HTR1A
SCHEMBL2577788 0.75 LMNA (0.43) MAPTLMNASCN5ASCN9AABL1

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed