SCHEMBL7293138

SCHEMBL7293138

COc1ccccc1N1CC(CCN2CCC(c3ccc4c(c3)OCO4)CC2)OC1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
KCNH2 Q12809 3/20 0.46
HTR1A P08908 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR7 P34969 3/20 0.44
ACHE P22303 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
POLB P06746 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7300486 0.91 SIGMAR1 (0.73) SIGMAR1ADRA1DADRA1AADRA1BKCNH2
SCHEMBL7298734 0.89 SIGMAR1 (0.57) SIGMAR1KCNH2GAATSHRHTR7
SCHEMBL7290882 0.87 SIGMAR1 (0.67) SIGMAR1KCNH2ACHEPOLBCYP3A4
SCHEMBL7299514 0.85 SIGMAR1 (0.64) SIGMAR1HTR7
SCHEMBL7291745 0.85 SIGMAR1 (0.70) SIGMAR1KCNH2HTR7DRD2DRD3
SCHEMBL7290395 0.85 SIGMAR1 (0.83) SIGMAR1KMT2A
SCHEMBL7292159 0.82 SIGMAR1 (0.62) SIGMAR1
SCHEMBL7290629 0.82 SIGMAR1 (0.65) SIGMAR1
SCHEMBL7291491 0.80 SIGMAR1 (0.65) SIGMAR1KCNH2HTR1AGAADRD2
SCHEMBL7298256 0.80 SIGMAR1 (0.70) SIGMAR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459256-B1 Oxazolidinones with CNS-depressant activity MERCK PATENT GMBH (DE) 1995-07-12 EP disclosed
US-5232931-A OXAZOLIDINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0459256-A1 Oxazolidinones with CNS-depressant activity MERCK PATENT GmbH (DE) 1991-12-04 EP disclosed