SCHEMBL21451971

SCHEMBL21451971

COC(=O)NCC1(N2CCc3nc(C)sc3C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.33
PIK3CG P48736 4/20 0.32
PDE10A Q9Y233 1/20 0.32
AOC3 Q16853 1/20 0.32
GRM5 P41594 2/20 0.31
GAA P10253 1/20 0.31
PIK3CD O00329 1/20 0.31
NPC1 O15118 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PARP1 P09874 1/20 0.31
RAB9A P51151 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL22966549 0.86 PIK3CG (0.35) TSHRPIK3CGGRM5GAAPIK3CD
SCHEMBL21452354 0.75 HDAC6 (0.42) TSHRALOX15GRM5GAANPC1
SCHEMBL22966630 0.75 PDCD1 (0.41)
SCHEMBL12761245 0.70 PDE10A (0.40) DPP4DPP8DPP9DPP7PDE10A
SCHEMBL15889120 0.70 DPP4 (0.44) DPP4DPP8DPP9DPP7GRM5
SCHEMBL13494215 0.69 MAPT (0.49) DPP4DPP8DPP9DPP7TSHR
SCHEMBL21451962 0.67 RAD52 (0.46) DPP4DPP8DPP9DPP7PDE10A
SCHEMBL16286092 0.66 RAD52 (0.45) DPP4DPP8DPP9DPP7PDE10A
SCHEMBL21451964 0.65 RAD52 (0.44) DPP4DPP8DPP9DPP7GRM5
SCHEMBL9382117 0.65 GRM5 (0.56) DPP4DPP8DPP9DPP7PDE10A

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-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO disclosed