SCHEMBL29261963

SCHEMBL29261963

CC(C)(C)OC(=O)N1CCOCC1CNC1(c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.42
P2RX7 Q99572 1/20 0.42
KCNN4 O15554 5/20 0.40
APP P05067 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
PSEN1 P49768 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
SCHEMBL29261962 1.00 IL1B (0.42) IL1BP2RX7KCNN4APPHTR1A
SCHEMBL29355246 1.00 IL1B (0.42) IL1BP2RX7KCNN4APPHTR1A
SCHEMBL28647448 0.88 KCNN4 (0.45) IL1BP2RX7KCNN4APPHTR1A
SCHEMBL22470075 0.88 KCNN4 (0.45) IL1BP2RX7KCNN4APPHTR1A
SCHEMBL29356136 0.88 KCNN4 (0.45) IL1BP2RX7KCNN4APPHTR1A
SCHEMBL22470080 0.87 KCNN4 (0.40) P2RX7KCNN4HCRTR1HCRTR2CYP3A4
SCHEMBL22470078 0.87 KCNN4 (0.40) P2RX7KCNN4HCRTR1HCRTR2CYP3A4
SCHEMBL22470138 0.87 KCNN4 (0.40) P2RX7KCNN4HCRTR1HCRTR2CYP3A4
SCHEMBL28648705 0.87 KCNN4 (0.49) IL1BP2RX7KCNN4APPHTR1A
SCHEMBL28648709 0.87 KCNN4 (0.49) IL1BP2RX7KCNN4APPHTR1A

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-113631538-B Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2024-05-31 CN disclosed