SCHEMBL6413167

SCHEMBL6413167

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CCR5 P51681 2/20 0.33

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
SCHEMBL2404743 0.84 PKM (0.42) FPR3FPR2PKMHPGDSMN1; SMN2
SCHEMBL6409864 0.82 KMT2A (0.43) HPGDSMN1; SMN2LMNAPOLBGAA
SCHEMBL6415660 0.81 SMN1; SMN2 (0.36) PKMHPGDSMN1; SMN2LMNAPOLB
SCHEMBL6409750 0.80 HPGD (0.47) HPGDSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6415977 0.80 ABL1 (0.41) HPGDSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6410146 0.79 TSHR (0.43) HPGDLMNAPOLBALDH1A1
SCHEMBL6410941 0.78 NAMPT (0.40) LMNAKMT2AALDH1A1
SCHEMBL6410357 0.75 POLB (0.43) SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL6410679 0.74 KMT2A (0.53) SMN1; SMN2LMNAGAAMAPTKMT2A
SCHEMBL6410215 0.74 SLC6A7 (0.42) HPGDSMN1; SMN2LMNAPOLBGAA

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