SCHEMBL6410964

SCHEMBL6410964

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)N2CCN(C(=O)Cc4ccccc4)CC2)=NO3)cc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
PKM P14618 4/20 0.50
ALDH1A1 P00352 6/20 0.45
CNR1 P21554 1/20 0.45
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
USP9X Q93008 1/20 0.39
GPR183 P32249 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
SCHEMBL2400362 0.89 GAA (0.65) GAAPKMALDH1A1CNR1KMT2A
SCHEMBL6410718 0.85 CHRM2 (0.41) GAAALDH1A1CNR1KMT2ATSHR
SCHEMBL6411309 0.81 HTT (0.46) GAAALDH1A1SMN1; SMN2TSHR
SCHEMBL2401334 0.74 CNR1 (0.51) GAACNR1KMT2AMEN1
SCHEMBL2399286 0.74 TGM2 (0.49) GAAPKMALDH1A1
SCHEMBL6410715 0.73 LMNA (0.46) GAAPKMALDH1A1KMT2ATSHR
SCHEMBL2581274 0.73 F13A1 (0.46) GAAPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL6411306 0.72 LMNA (0.51) GAAALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2401405 0.72 TSHR (0.46) GAAPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL2400790 0.71 GAA (0.51) GAAALDH1A1CNR1KMT2ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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