SCHEMBL28044526

SCHEMBL28044526

O=C(O)c1ccc(OCC2CCOC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
GABRA5 P31644 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
XDH P47989 1/20 0.47
ACHE P22303 2/20 0.42
HCAR3 P49019 2/20 0.40
GCK P35557 1/20 0.40

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
SCHEMBL840900 0.92 XDH (0.54) MAPTGABRA5L3MBTL1XDHACHE
SCHEMBL795937 0.84 MAPT (0.61) MAPTGABRA5L3MBTL1XDHACHE
SCHEMBL567481 0.81 PARP15 (0.51) XDH
SCHEMBL4681119 0.81 MAPT (0.56) MAPTL3MBTL1XDHACHEHCAR3
SCHEMBL840394 0.81 MAPT (0.50) MAPTGABRA5L3MBTL1HCAR3
SCHEMBL840841 0.80 MAPT (0.55) MAPTGABRA5L3MBTL1HCAR3
SCHEMBL797553 0.78 MAPT (0.47) MAPTL3MBTL1HCAR3
SCHEMBL1928108 0.78 MCHR1 (0.42) GABRA5XDH
SCHEMBL840756 0.76 HCAR3 (0.60) MAPTL3MBTL1HCAR3
SCHEMBL839875 0.75 HCAR3 (0.56) MAPTGABRA5L3MBTL1HCAR3

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
CN-103118680-B Heteroaryl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2015-12-16 CN disclosed