SCHEMBL31727680

SCHEMBL31727680

Nc1ccc(C2CC(=O)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37

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
SCHEMBL629419 0.81 ESR2 (0.50) TNKSDRD2DRD3NOS3NOS2
SCHEMBL1355472 0.79 TNKS (0.47) TNKSDRD2DRD3NOS3NOS2
SCHEMBL29325580 0.78 TSHR (0.50) DRD2DRD3GAAKMT2A
SCHEMBL29234046 0.77 MAPT (0.50) GAAMAPTSMN1; SMN2HTTKMT2A
SCHEMBL21597735 0.77 TNKS (0.41) TNKSGAAMAPTSMN1; SMN2KDM4E
SCHEMBL22583349 0.76 KDM4E (0.51) TNKSDRD2DRD3NOS3NOS2
SCHEMBL15718047 0.76 KDM4E (0.47) TNKSDRD2DRD3NOS3NOS2
SCHEMBL16681192 0.75 BRD4 (0.56) DRD2DRD3DRD4
SCHEMBL18291410 0.75 TLR8 (0.39) TNKSDRD2DRD3TRPC6CYP19A1
SCHEMBL29640762 0.75 BRD4 (0.56) DRD2DRD3DRD4

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-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed