SCHEMBL6411592

SCHEMBL6411592

O=C(NCc1cccs1)OC1=NOC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HTR1A P08908 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CASP3 P42574 1/20 0.38
CTSK P43235 1/20 0.38
CTSF Q9UBX1 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
SCHEMBL6416282 0.90 HTR1A (0.43) HTR1A
SCHEMBL6413986 0.85 FKBP1A (0.46) POLBRAB9AMAPTALDH1A1HPGD
SCHEMBL2401978 0.85 RAB9A (0.45) POLBRAB9AMAPTEPHX2ALDH1A1
SCHEMBL6415977 0.85 ABL1 (0.41) POLBALDH1A1HPGDLMNA
SCHEMBL6411043 0.85 SMN1; SMN2 (0.41) RAB9AMAPTEPHX2ALDH1A1HPGD
SCHEMBL6410752 0.84 USP7 (0.39) POLBRAB9AALDH1A1HPGDLMNA
SCHEMBL6410177 0.84 POLB (0.38) POLBALDH1A1HPGDLMNA
SCHEMBL6416570 0.82 PKM (0.47) POLBEPHX2ALDH1A1JAK2JAK1
SCHEMBL6431092 0.82 AVPR1A (0.41) POLBALDH1A1JAK2JAK1LMNA
SCHEMBL6410191 0.81 POLB (0.53) POLBALDH1A1KDM4EPKM

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