SCHEMBL16976802

SCHEMBL16976802

NN[C@@]1(c2ccccc2F)CCOC[C@H]1CO

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.33
BACE1 P56817 5/20 0.33
BACE2 Q9Y5Z0 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL2619826 0.80 BACE1 (0.34) HDAC4BACE1BACE2DPP4
SCHEMBL8023134 0.80 BACE1 (0.34) HDAC4BACE1BACE2DPP4
SCHEMBL2109978 0.76 EPHX1 (0.42)
SCHEMBL2108345 0.74 HDAC4 (0.31) HDAC4BACE1
SCHEMBL8515221 0.73 BACE1 (0.35) HDAC4BACE1BACE2DPP4
SCHEMBL8515218 0.73 BACE1 (0.35) HDAC4BACE1BACE2DPP4
SCHEMBL2966687 0.71 BACE1 (0.39) HDAC4BACE1BACE2
SCHEMBL12690000 0.71 BACE1 (0.39) HDAC4BACE1BACE2
SCHEMBL2619831 0.71 BACE1 (0.39) HDAC4BACE1BACE2
SCHEMBL2108227 0.71

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-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed