SCHEMBL3346992

SCHEMBL3346992

COc1cc(F)ccc1N1CCOCC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
F10 P00742 7/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
PRKDC P78527 1/20 0.41
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TNIK Q9UKE5 1/20 0.39
PER2 O15055 1/20 0.39
P2RX7 Q99572 2/20 0.39
F2 P00734 1/20 0.39
MTOR P42345 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL15652050 0.77 LRRK2 (0.51) LRRK2F10PRKDCMTOR
SCHEMBL18631136 0.75 HTT (0.44) LRRK2
SCHEMBL5512937 0.74 F10 (0.51) F10MTOR
SCHEMBL8306339 0.73 ALDH1A1 (0.45) LRRK2F10PRKDC
SCHEMBL77406 0.71 MAPT (0.43) LRRK2F10TSHR
SCHEMBL18630668 0.71 F10 (0.54) F10HTR1A
SCHEMBL5516270 0.71 F10 (0.43) F10MTOR
SCHEMBL5509755 0.71 F10 (0.43) F10MTOR
SCHEMBL25653902 0.71 CRBN (0.48) KDM4ETSHRP2RX7
SCHEMBL25033227 0.71 PTGS2 (0.46) LRRK2F10MTOR

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-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed