SCHEMBL5013452

SCHEMBL5013452

CC(NC(=O)ON1N(Cc2ccc(C(F)(F)F)cc2)C(=O)OC12CCCCC2)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NR3C2 P08235 1/20 0.36
HDAC3 O15379 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGER4 P35408 3/20 0.36
OPRM1 P35372 3/20 0.35
ADRA2C P18825 2/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
DRD3 P35462 2/20 0.35
CASR P41180 2/20 0.35
MLNR O43193 1/20 0.35
ABCB11 O95342 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
SCHEMBL4267976 0.79 HSD11B1 (0.40) DRD4LMNAGAAHDAC3CYP2C9
SCHEMBL4263514 0.68 HSD11B1 (0.40) METAP2METAP1LMNAGAAHDAC3
SCHEMBL12495388 0.67 PTGER4 (0.51) DRD4LMNAGAAHDAC3CYP2C9
SCHEMBL26434598 0.67 SSTR4 (0.49) METAP2METAP1LMNAGAAHDAC3
SCHEMBL26434432 0.67 SSTR4 (0.49) METAP2METAP1LMNAGAAHDAC3
SCHEMBL1580540 0.65 ADRA2C (0.65) METAP2METAP1LMNAGAAHDAC3
SCHEMBL716961 0.65 ADRA2C (0.65) METAP2METAP1LMNAGAAHDAC3
SCHEMBL12528476 0.65 CASR (0.53) OPRM1ADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL12494980 0.64 CASR (0.52) OPRM1ADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL13077646 0.64 CASR (0.60) HDAC3CYP2C9HDAC1HDAC6OPRM1

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-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP claimed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO claimed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed