SCHEMBL6410158

SCHEMBL6410158

O=C(OC1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6851497 0.91 OPRM1 (0.41) OPRM1OPRD1CRHBPCRHR2ALDH1A1
SCHEMBL2404639 0.86 OPRM1 (0.47) OPRM1OPRD1ATMMAPTCRHBP
SCHEMBL6411587 0.84 HSD17B10 (0.48) ATMMAPTTDP1ALDH1A1KMT2A
SCHEMBL6409491 0.83 CRHBP (0.48) OPRM1OPRD1MAPTCRHBPCRHR2
SCHEMBL6417412 0.81 ATM (0.51) ATMMAPTTDP1ALDH1A1KMT2A
SCHEMBL6410109 0.80 MEN1 (0.45) OPRM1OPRD1CRHBPCRHR2ALDH1A1
SCHEMBL6410069 0.80 TDP1 (0.42) ATMMAPTTDP1ALDH1A1MEN1
SCHEMBL6411053 0.76 KMT2A (0.46) ATMMAPTALDH1A1MEN1KMT2A
SCHEMBL5529321 0.75 OPRM1 (0.42) OPRM1OPRD1MAPTCRHBPCRHR2
SCHEMBL6410287 0.75 HSD17B10 (0.45) CRHBPCRHR2ALDH1A1MEN1KMT2A

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 4 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
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