SCHEMBL6415977

SCHEMBL6415977

O=C(NCc1cccs1)OC1=NOC2(CCN(C(=O)c3ccc(Br)cc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
GRK2 P25098 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
USP7 Q93009 1/20 0.36
METAP2 P50579 1/20 0.35
HTT P42858 1/20 0.35
NAMPT P43490 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
SCHEMBL6410752 0.90 USP7 (0.39) SMN1; SMN2LMNAKMT2AMEN1POLB
SCHEMBL6409445 0.87 USP7 (0.36) SMN1; SMN2LMNAHPGDALDH1A1USP7
SCHEMBL6409864 0.86 KMT2A (0.43) SMN1; SMN2LMNAKMT2APOLBHPGD
SCHEMBL6411592 0.85 POLB (0.41) LMNAPOLBHPGDALDH1A1
SCHEMBL6416282 0.85 HTR1A (0.43)
SCHEMBL2400885 0.85 ABL1 (0.46) ABL1BCRSMN1; SMN2LMNAKMT2A
SCHEMBL6411043 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHPGDALDH1A1METAP2
SCHEMBL6431092 0.82 AVPR1A (0.41) SMN1; SMN2LMNAPOLBALDH1A1METAP2
SCHEMBL6415660 0.82 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKMT2AMEN1POLB
SCHEMBL6410177 0.81 POLB (0.38) SMN1; SMN2LMNAPOLBHPGDALDH1A1

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