SCHEMBL16638904

SCHEMBL16638904

Cc1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
USP30 Q70CQ3 1/20 0.34
BACE1 P56817 3/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
PDPK1 O15530 1/20 0.33
SSTR4 P31391 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
HTR2C P28335 3/20 0.31
SLC6A4 P31645 3/20 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
SCHEMBL30990234 0.82 SYK (0.34) SYKUSP30BACE1BACE2PDPK1
SCHEMBL1180650 0.82 SYK (0.36) SYKUSP30BACE1PDPK1SSTR4
SCHEMBL25385687 0.81 SYK (0.34) SYKUSP30BACE1BACE2PDPK1
SCHEMBL30990299 0.81 SSTR4 (0.39) SYKUSP30BACE1BACE2PDPK1
SCHEMBL6059048 0.80 SYK (0.37) SYKUSP30PDPK1SSTR4GRIN2B
SCHEMBL24030998 0.79 USP30 (0.37) SYKUSP30BACE1PDPK1SSTR4
SCHEMBL6058650 0.79 SYK (0.37) SYKUSP30PDPK1SSTR4AAK1
SCHEMBL3956395 0.78 MAPT (0.38) SYKUSP30
SCHEMBL30990198 0.76 SYK (0.35) SYKBACE1BACE2PDPK1SSTR4
SCHEMBL16418854 0.76 SYK (0.39) SYKUSP30BACE1PDPK1HTR2C

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-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed