SCHEMBL31335935

SCHEMBL31335935

CCNc1cccc2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
NAMPT P43490 5/20 0.47
MAPK1 P28482 1/20 0.45
HDAC1 Q13547 1/20 0.41
ESR2 Q92731 1/20 0.41
ABHD6 Q9BV23 2/20 0.40
NR1H2 P55055 2/20 0.40
SCN9A Q15858 1/20 0.39
UCHL1 P09936 1/20 0.39
GLS O94925 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38

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
SCHEMBL17686920 0.88 DDB1 (0.47) DDB1CRBNNAMPTMAPK1HDAC1
SCHEMBL31335950 0.88 DDB1 (0.47) DDB1CRBNNAMPTMAPK1HDAC1
SCHEMBL31335976 0.87 NAMPT (0.54) DDB1CRBNNAMPTMAPK1UCHL1
SCHEMBL16269644 0.86 DDB1 (0.45) DDB1CRBNNAMPTMAPK1HDAC1
SCHEMBL31013975 0.86 DDB1 (0.46) DDB1CRBNNAMPTMAPK1HDAC1
SCHEMBL31335890 0.86 ACHE (0.48) DDB1CRBNNAMPTMAPK1UCHL1
SCHEMBL15893731 0.86 DDB1 (0.52) DDB1CRBNNAMPTMAPK1HDAC1
SCHEMBL31013972 0.86 DDB1 (0.52) DDB1CRBNNAMPTMAPK1HDAC1
SCHEMBL18422662 0.84 DDB1 (0.47) DDB1CRBNNAMPTMAPK1HDAC1
SCHEMBL31335944 0.83 HTT (0.48) DDB1CRBNNAMPTMAPK1SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed