SCHEMBL6410200

SCHEMBL6410200

CCOC(=O)ON1CCC(NC(=O)C2=NOC3(CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
PCSK9 Q8NBP7 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RORC P51449 2/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
XBP1 P17861 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 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
SCHEMBL2401265 0.91 KDM4E (0.53) KDM4EHSD17B10L3MBTL1GAAPCSK9
SCHEMBL2400764 0.84 CNR1 (0.45) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL6848470 0.84 KDM4E (0.34) KDM4EHSD17B10L3MBTL1GAAPCSK9
SCHEMBL2399309 0.79 KMT2A (0.47) L3MBTL1GAAKMT2AMAPTHTT
SCHEMBL6412521 0.78 EPHX2 (0.47) KDM4EHSD17B10L3MBTL1GAASMN1; SMN2
SCHEMBL6411431 0.76 HTT (0.51) KDM4EL3MBTL1GAAKMT2ASMN1; SMN2
SCHEMBL2402766 0.76 HTT (0.42) HSD17B10L3MBTL1GAAKMT2ASMN1; SMN2
SCHEMBL2403572 0.76 KMT2A (0.41) L3MBTL1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6410853 0.75 SMN1; SMN2 (0.41) KDM4EHSD17B10GAAKMT2ASMN1; SMN2
SCHEMBL2400775 0.75 CACNA1B (0.43) L3MBTL1GAAKMT2ASMN1; SMN2RORC

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-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 claimed
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