SCHEMBL6027573

SCHEMBL6027573

NC(=O)OC1NCCOc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
SSTR4 P31391 2/20 0.37
KEAP1 Q14145 1/20 0.36
SLC9A1 P19634 2/20 0.34
KDM1A O60341 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
SLC9A5 Q14940 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
ALOX5 P09917 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
NR3C1 P04150 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CYP2C9 P11712 1/20 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
SCHEMBL6027166 0.79 ATM (0.44) ATMSSTR4KEAP1SLC9A1TRPM8
SCHEMBL5161528 0.74 TSHR (0.54) GAASMN1; SMN2
SCHEMBL18027909 0.73 ITGB2 (0.41) SSTR4KEAP1ITGB2ICAM1ITGAL
SCHEMBL13091456 0.72 SMN1; SMN2 (0.43) KEAP1SMN1; SMN2DRD2DRD3
SCHEMBL13091452 0.69 ITGB2 (0.41) SSTR4KEAP1ITGB2ICAM1ITGAL
SCHEMBL29990871 0.69 ITGB2 (0.41) SSTR4KEAP1ITGB2ICAM1ITGAL
SCHEMBL30192841 0.69 ITGB2 (0.38) SSTR4KEAP1KDM1AITGB2ICAM1
SCHEMBL11667059 0.68 PRCP (0.51) KDM1AITGB2ICAM1ITGALGAA
SCHEMBL5392565 0.67 ATM (0.47) ATMSSTR4SLC9A1TRPM8ITGB2
SCHEMBL5392581 0.67 ATM (0.47) ATMSSTR4SLC9A1TRPM8ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631296-A1 2,3,4,5-TETRAHYDROBENZO[F][1,4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed