SCHEMBL30723312

SCHEMBL30723312

COC(=O)C(CC1CCn2c1nc1cc(F)ccc1c2=O)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTR7 P34969 5/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
TRPV4 Q9HBA0 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL30723310 0.94 RAB9A (0.40) SMN1; SMN2HTR7RAB9ANPC1HRH3
SCHEMBL30723301 0.91 BCHE (0.39) BCHEACHEHTR7
SCHEMBL30723308 0.91 GAA (0.39) BCHEACHEHTR7TRPV4HRH3
SCHEMBL30723326 0.90 BCHE (0.37) SMN1; SMN2BCHEACHEHTR7RAB9A
SCHEMBL29152966 0.89 ACHE (0.44) SMN1; SMN2BCHEACHEHTR7RAB9A
SCHEMBL30723328 0.88 HRH3 (0.38) BCHEACHEHTR7TRPV4HRH3
SCHEMBL30723315 0.86 ACHE (0.42) BCHEACHEHTR7
SCHEMBL30723319 0.85 ACHE (0.55) SMN1; SMN2BCHEACHELMNA
SCHEMBL30723316 0.85 ALDH1A1 (0.41) SMN1; SMN2HTR7RAB9ANPC1HRH3
SCHEMBL30723304 0.85 RXFP1 (0.39) SMN1; SMN2HTR7RAB9ANPC1HRH3

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-117486887-A Polycyclic pyrimidine-4-ketone compound and preparation method and application thereof 昆明学院 2024-02-02 CN disclosed