SCHEMBL30359182

SCHEMBL30359182

CC(C)c1nc(C(=O)N2C3CCC2CNC3)cs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.42
TLR7 Q9NYK1 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
CHRM2 P08172 5/20 0.37
CHRM3 P20309 5/20 0.37
PIK3CA P42336 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
IDH1 O75874 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL30358993 0.76 TRPV4 (0.38) GAATRPV4HTR2AIDH1
SCHEMBL30359085 0.76 KCNK3 (0.44) KCNK3KCNK9TRPV4IDH1
SCHEMBL30359028 0.71 TRPV4 (0.41) TRPV4POLB
SCHEMBL23563560 0.71 RORC (0.37) KCNK3KCNK9KMT2AMEN1GFER
SCHEMBL26702878 0.71 KMT2A (0.54) KMT2AMEN1GFERTLR7GAA
SCHEMBL30359057 0.71 KDM4E (0.42) KCNK3KCNK9KMT2ATLR7TRPV4
SCHEMBL30359010 0.70 SLC6A2 (0.46)
SCHEMBL27830319 0.69 TLR7 (0.54) KMT2AMEN1GFERTLR7GAA
SCHEMBL13466913 0.69 KMT2A (0.53) KMT2AMEN1GFERTLR7GAA
SCHEMBL26703529 0.69 HRH3 (0.55) KMT2AMEN1GFERTLR7CHRM2

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-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed