SCHEMBL28620181

SCHEMBL28620181

O=C(O)N1CCC[C@H]1COC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.35
DPP4 P27487 5/20 0.34
DPP8 Q6V1X1 5/20 0.34
CYP2D6 P10635 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACE P12821 4/20 0.33
REN P00797 2/20 0.33
KDM4E B2RXH2 1/20 0.33
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
PEPD P12955 1/20 0.33

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
SCHEMBL6119785 1.00 POLB (0.41) POLBL3MBTL1RAB9ADPP4DPP8
SCHEMBL18458207 0.83 RAB9A (0.41) POLBL3MBTL1RAB9ADPP4DPP8
SCHEMBL12069452 0.80 RAB9A (0.38) POLBL3MBTL1RAB9ADPP4DPP8
SCHEMBL18015118 0.79 ALOX5AP (0.45) L3MBTL1HSD17B10
SCHEMBL18015115 0.79 ALOX5AP (0.45) L3MBTL1HSD17B10
SCHEMBL18015133 0.79 ALOX5AP (0.45) L3MBTL1HSD17B10
SCHEMBL13740550 0.79 POLB (0.46) POLBL3MBTL1RAB9ADPP4DPP7
SCHEMBL15608178 0.79 POLB (0.46) POLBL3MBTL1RAB9ADPP4DPP7
SCHEMBL3182268 0.77 POLB (0.44) POLBL3MBTL1RAB9ADPP4DPP8
SCHEMBL16612137 0.77 POLB (0.44) POLBL3MBTL1RAB9ADPP4DPP8

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-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed