SCHEMBL1978781

SCHEMBL1978781

CC1(Cc2ccc(F)cc2)CC2(NC(=O)NC2=O)c2cc(Br)ncc2O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.40
AKR1B10 O60218 2/20 0.40
AKR1A1 P14550 2/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 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
SCHEMBL1979002 0.85 AKR1B1 (0.45) AKR1B1AKR1B10AKR1A1MAPT
SCHEMBL1982116 0.85 MAOB (0.32) MAOB
SCHEMBL1985921 0.83 BACE1 (0.39) MAOB
SCHEMBL12592579 0.74 BACE1 (0.50)
SCHEMBL12592793 0.74 BACE1 (0.50)
SCHEMBL1980452 0.73 MAOB (0.43) MAPTMAOB
SCHEMBL1978029 0.72 CYP3A4 (0.37) AKR1B1AKR1B10AKR1A1MAPT
SCHEMBL1981985 0.70 BACE1 (0.40) MAPT
SCHEMBL1978759 0.68 MEN1 (0.36) MAOB
SCHEMBL9260661 0.68 AKR1B1 (0.62) AKR1B1AKR1B10AKR1A1MAPT

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