SCHEMBL6411587

SCHEMBL6411587

N#CCCN(Cc1cccnc1)C(=O)OC1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 8/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 5/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 1/20 0.36
ATM Q13315 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
SCHEMBL6410069 0.87 TDP1 (0.42) ALDH1A1GAALMNASMN1; SMN2KMT2A
SCHEMBL6410158 0.84 OPRM1 (0.43) ALDH1A1GAALMNASMN1; SMN2KMT2A
SCHEMBL6411053 0.81 KMT2A (0.46) ALDH1A1GAASMN1; SMN2KMT2AKDM4E
SCHEMBL2403570 0.77 TDP1 (0.44) HSD17B10ALDH1A1GAALMNASMN1; SMN2
SCHEMBL6410287 0.77 HSD17B10 (0.45) HSD17B10ALDH1A1GAALMNAKMT2A
SCHEMBL6851497 0.76 OPRM1 (0.41) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6417412 0.75 ATM (0.51) ALDH1A1GAASMN1; SMN2KMT2AKDM4E
SCHEMBL2402616 0.72 KMT2A (0.38) ALDH1A1LMNASMN1; SMN2KMT2ARECQL
SCHEMBL2400757 0.71 KMT2A (0.47) ALDH1A1GAASMN1; SMN2KMT2AKDM4E
SCHEMBL2404639 0.71 OPRM1 (0.47) ALDH1A1LMNAKMT2ARECQLTDP1

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 6 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-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP claimed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO 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
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed