SCHEMBL30516619

SCHEMBL30516619

COC(=O)c1cnc(N2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.45
P2RY12 Q9H244 3/20 0.43
SCN10A Q9Y5Y9 3/20 0.42
MAPT P10636 2/20 0.41
CRBN Q96SW2 4/20 0.41
DDB1 Q16531 2/20 0.39
DPP4 P27487 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
WHR1 P49842 1/20 0.39
ABL1 P00519 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
SCHEMBL24215455 1.00 OPRK1 (0.45) OPRK1P2RY12SCN10AMAPTCRBN
SCHEMBL24215693 0.90 OPRK1 (0.45) OPRK1P2RY12SCN10AMAPTCRBN
SCHEMBL30516578 0.90 OPRK1 (0.45) OPRK1P2RY12SCN10AMAPTCRBN
SCHEMBL24213973 0.89 OPRK1 (0.43) OPRK1P2RY12MAPTCRBNDDB1
SCHEMBL24225600 0.87 P2RY12 (0.43) OPRK1P2RY12SCN10ACRBNDDB1
SCHEMBL4131161 0.87 OPRK1 (0.51) OPRK1P2RY12MAPTHDAC6
SCHEMBL24214249 0.86 P2RY12 (0.58) P2RY12
SCHEMBL29046138 0.85 SCN10A (0.38) SCN10AHDAC6ABL1
SCHEMBL24215578 0.85 MAPT (0.39) SCN10AMAPTHDAC6WHR1
SCHEMBL23166436 0.84 P2RY12 (0.47) OPRK1P2RY12MAPTHDAC6ABL1

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
CN-116528862-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-08-01 CN disclosed