SCHEMBL10316565

SCHEMBL10316565

CC[C@@]1(c2cc(C(N)=O)ccc2F)CCN=C(N)S1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.37
KDM1A O60341 1/20 0.33
OPRM1 P35372 2/20 0.32
PDE4B Q07343 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
OPRL1 P41146 1/20 0.32
TTR P02766 1/20 0.32
CTSD P07339 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
SCHEMBL10316529 0.83 BACE1 (0.39) BACE1KDM1AOPRM1PDE4BOPRD1
SCHEMBL10316542 0.83 BACE1 (0.39) BACE1KDM1AOPRM1PDE4BOPRD1
SCHEMBL1441138 0.81 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL1441476 0.79 BACE1 (0.47) BACE1BACE2
SCHEMBL1441018 0.75 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL1441073 0.75 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL1441155 0.75 BACE1 (0.50) BACE1BACE2
SCHEMBL1440516 0.75 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL13268484 0.75 BACE1 (0.34) BACE1KDM1AOPRM1PDE4BOPRD1
SCHEMBL1441215 0.74 BACE1 (0.49) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475658-A1 2 -AMINODIHYDRO [1, 3]THIAZINES AS BACE 2 INHIBITORS FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
EP-2475658-A1 2 -AMINODIHYDRO [1, 3]THIAZINES AS BACE 2 INHIBITORS FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed