SCHEMBL1982116

SCHEMBL1982116

CN1C(=O)NC2(CC(C)(Cc3ccc(F)cc3)Oc3cnc(Br)cc32)C1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
BACE1 P56817 2/20 0.31
PLA2G7 Q13093 1/20 0.31
CTSD P07339 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL1985921 0.92 BACE1 (0.39) MAOBBACE1
SCHEMBL1981985 0.86 BACE1 (0.40) BACE1CTSDITGB2ICAM1ITGAL
SCHEMBL1978781 0.85 AKR1B1 (0.40) MAOB
SCHEMBL12592793 0.80 BACE1 (0.50) BACE1CTSD
SCHEMBL12592579 0.80 BACE1 (0.50) BACE1CTSD
SCHEMBL1983002 0.73 BACE1 (0.40) BACE1CTSD
SCHEMBL1980452 0.72 MAOB (0.43) MAOB
SCHEMBL1979002 0.70 AKR1B1 (0.45)
SCHEMBL1981795 0.70 BACE1 (0.55) BACE1CTSD
SCHEMBL1982797 0.69 MEN1 (0.39) MAOBBACE1CTSD

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
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed