SCHEMBL30059596

SCHEMBL30059596

CC1(C)OC(=O)c2cnc(N)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
PDPK1 O15530 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
SCHEMBL4649726 0.81 CCNC (0.42) MAP4K1MAP4K3IRAK4CCNCCDK8
SCHEMBL21013530 0.74 POLB (0.46) ALDH1A1CYP3A4KCNH2
SCHEMBL29606664 0.74 POLB (0.46) ALDH1A1CYP3A4KCNH2
Hydrochloric Acid SCHEMBL30504137 0.73 POLB (0.45) ALDH1A1CYP3A4KCNH2
SCHEMBL30057264 0.70 ALDH1A1 (0.44) MAP4K1ALDH1A1FGFR1
SCHEMBL22574413 0.70 PDK2 (0.40) ALDH1A1CYP3A4
SCHEMBL6062278 0.69 MAOA (0.41) CCNCCDK8HASPINPSMB1
SCHEMBL6742481 0.69 MEN1 (0.54) ALDH1A1CYP3A4KCNH2
SCHEMBL4649734 0.69 CNR2 (0.39) PIK3CBSRCCYP3A4
SCHEMBL9089041 0.67 NPSR1 (0.46) ALDH1A1

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-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed