SCHEMBL6409874

SCHEMBL6409874

Cc1cc(C(=O)N2CCC3(CC2)CC(OC(=O)NCC(C)C)=NO3)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.40
ACACB O00763 4/20 0.36
HPGD P15428 2/20 0.35
MGLL Q99685 1/20 0.35
TSHR P16473 2/20 0.35
CNR2 P34972 1/20 0.34
LRRK2 Q5S007 3/20 0.34
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6410288 0.86 NAMPT (0.41) MGLLTSHRCYP2D6MAPK1KMT2A
SCHEMBL6410053 0.85 MGLL (0.42) ACACBHPGDMGLLTSHRGLA
SCHEMBL2402442 0.85 FASN (0.41) FASNACACBHPGDMGLLTSHR
SCHEMBL6410357 0.85 POLB (0.43) FASNCYP2D6MAPK1
SCHEMBL6411397 0.77 ALDH1A1 (0.42) TSHRGLAKMT2A
SCHEMBL6433711 0.77 AVPR1A (0.43) KMT2A
SCHEMBL6410049 0.76 HPGD (0.43) ACACBHPGDMGLLTSHRGLA
SCHEMBL6415557 0.75 KMT2A (0.45) HPGDKMT2A
SCHEMBL6415660 0.74 SMN1; SMN2 (0.36) HPGDTSHRKMT2A
SCHEMBL6413167 0.74 FPR3 (0.37) HPGDKMT2A

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