SCHEMBL6410177

SCHEMBL6410177

O=C(NCc1cccs1)OC1=NOC2(CCN(C(=O)c3cccc(Cl)c3F)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
AURKA O14965 10/20 0.37
AURKB Q96GD4 10/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6411043 0.92 SMN1; SMN2 (0.41) LMNATP53SMN1; SMN2HPGDALDH1A1
SCHEMBL2401308 0.86 HPGD (0.41) POLBLMNATP53SMN1; SMN2HPGD
SCHEMBL6431092 0.85 AVPR1A (0.41) POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL6416282 0.85 HTR1A (0.43)
SCHEMBL6411592 0.84 POLB (0.41) POLBLMNAHPGDALDH1A1
SCHEMBL6409627 0.82 HPGD (0.40) AURKAAURKBHPGDALDH1A1
SCHEMBL6410191 0.82 POLB (0.53) POLBALDH1A1
SCHEMBL6410959 0.82 GAA (0.36) POLBLMNATP53SMN1; SMN2HPGD
SCHEMBL6415977 0.81 ABL1 (0.41) POLBLMNASMN1; SMN2HPGDALDH1A1
SCHEMBL6409948 0.79 KDM4E (0.47) POLBLMNATP53SMN1; SMN2ALDH1A1

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-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