SCHEMBL21429656

SCHEMBL21429656

CC(C)(C)OC(=O)N1CC=C(c2ccncn2)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.50
GPR119 Q8TDV5 3/20 0.50
GRM5 P41594 11/20 0.45
PDK4 Q16654 1/20 0.43
SCN9A Q15858 1/20 0.41
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL31334406 0.85 GRM5 (0.55) GRM1GPR119GRM5PDK4NAMPT
SCHEMBL19992989 0.83 GRM1 (0.56) GRM1GPR119GRM5PDK4NAMPT
SCHEMBL19513960 0.81 GRM1 (0.43) GRM1GRM5PDK4NAMPTPOLB
SCHEMBL16554636 0.80 GRM1 (0.42) GRM1GRM5PDK4NAMPT
SCHEMBL30463486 0.80 MEN1 (0.43) GRM1GRM5PDK4NAMPTPOLB
SCHEMBL18741854 0.80 MEN1 (0.43) GRM1GRM5PDK4NAMPTPOLB
SCHEMBL23791266 0.79 GRM5 (0.48) GRM1GPR119GRM5PDK4NAMPT
SCHEMBL31283768 0.78 GRM1 (0.42) GRM1GPR119GRM5PDK4NAMPT
SCHEMBL2280613 0.78 GRM1 (0.44) GRM1GRM5PDK4NAMPT
SCHEMBL24793826 0.77 GRM1 (0.44) GRM1GPR119GRM5PDK4NAMPT

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-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO disclosed