SCHEMBL6409465

SCHEMBL6409465

O=C(NCc1cc(F)cc(C(F)(F)F)c1)OC1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CNR2 P34972 1/20 0.36
PLA2G1B P04054 1/20 0.36
PKM P14618 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RECQL P46063 1/20 0.35
METAP2 P50579 2/20 0.35
DDR1 Q08345 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR2 P41597 1/20 0.35
GPR183 P32249 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2400054 0.87 DDR1 (0.40) ATMMAPTLMNAPLA2G1BPKM
SCHEMBL6410171 0.81 L3MBTL1 (0.44) MAPTLMNACYP3A4ALDH1A1MEN1
SCHEMBL6412732 0.80 KMT2A (0.43) MAPTPLA2G1BPKMATG4BMEN1
SCHEMBL6417412 0.77 ATM (0.51) ATMMAPTPKMALDH1A1TSHR
SCHEMBL6410801 0.75 KMT2A (0.48) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL6409851 0.74 SMN1; SMN2 (0.42) LMNACYP2C9PLA2G1BPKMATG4B
SCHEMBL1457068 0.73 MEN1 (0.40) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL6415335 0.73 TSHR (0.44) MAPTLMNAALDH1A1MEN1TSHR
SCHEMBL6413066 0.73 EPHX2 (0.43) MAPTLMNAPKMALDH1A1MEN1
SCHEMBL6409954 0.72 ADRB2 (0.42) MAPTLMNACYP2C9CYP3A4MEN1

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