SCHEMBL9765974

SCHEMBL9765974

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(F)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.60
HDAC1 Q13547 2/20 0.48
PARP1 P09874 1/20 0.46
HSD11B1 P28845 1/20 0.45
RET P07949 2/20 0.42
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
SPR P35270 1/20 0.38
MAPK8 P45983 1/20 0.37
GRM2 Q14416 1/20 0.37
MAP3K13 O43283 2/20 0.37
MAP3K12 Q12852 2/20 0.37
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1200061 0.89 GPR119 (0.61) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL1200066 0.89 GPR119 (0.61) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL1200065 0.89 GPR119 (0.61) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL12740842 0.89 GPR119 (0.64) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL12740858 0.89 GPR119 (0.61) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL30510788 0.88 GPR119 (0.58) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL24467689 0.87 GPR119 (0.59) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL18339875 0.86 GPR119 (0.58) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL29877240 0.85 GPR119 (0.57) GPR119HDAC1PARP1HSD11B1RET
SCHEMBL1200864 0.85 GPR119 (0.60) GPR119HDAC1PARP1HSD11B1RET

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
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed