SCHEMBL30899238

SCHEMBL30899238

CC(C)(C)OC(=O)N1Cc2cn(-c3cc(F)cc(F)c3)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 2/20 0.45
SLC6A9 P48067 9/20 0.41
KCNH2 Q12809 3/20 0.40
HPGDS O60760 2/20 0.40
HDAC1 Q13547 1/20 0.40
GRM5 P41594 2/20 0.40
GRM1 Q13255 2/20 0.40
PDK2 Q15119 2/20 0.39
ESR2 Q92731 1/20 0.39
NR1H2 P55055 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
SCHEMBL17202429 0.88 GRM5 (0.49) SLC34A1SLC6A9KCNH2HPGDSHDAC1
SCHEMBL23015352 0.81 HDAC1 (0.45) SLC34A1SLC6A9HDAC1GRM5GRM1
SCHEMBL29262509 0.81 SLC6A9 (0.41) SLC6A9KCNH2PDK2
SCHEMBL28967185 0.79 PDK2 (0.42) SLC34A1SLC6A9KCNH2HDAC1GRM5
SCHEMBL21525539 0.78 PDK2 (0.44) SLC34A1HDAC1PDK2ESR2NR1H2
SCHEMBL20792753 0.78 PDK2 (0.56) SLC34A1HPGDSGRM5GRM1PDK2
SCHEMBL18883091 0.78 PDK2 (0.41) SLC34A1SLC6A9HDAC1GRM5GRM1
SCHEMBL30866165 0.77 MAPT (0.57) SLC34A1SLC6A9KCNH2HDAC1PDK2
SCHEMBL18376191 0.77 NR1H2 (0.46) HDAC1ESR2NR1H2
SCHEMBL30834648 0.76 GPR119 (0.44) SLC34A1HDAC1PDK2

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-113754635-B Condensed ring compound and preparation method and application thereof 成都康弘药业集团股份有限公司 2024-06-21 CN disclosed