SCHEMBL25577644

SCHEMBL25577644

Cc1cnccc1Cc1ccc(N)cc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
AOC1 P19801 4/20 0.35
AOC3 Q16853 4/20 0.35
P2RX7 Q99572 1/20 0.33

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
SCHEMBL14223271 0.82 ADRA2B (0.49) ADRA2BLOXL2MAPTGAATSHR
SCHEMBL26037690 0.78 ADRA2B (0.50) ADRA2BMAPTGAATSHRMAPK1
SCHEMBL31175766 0.78 ADRA2B (0.50) ADRA2BMAPTGAATSHRMAPK1
SCHEMBL26037444 0.75 GAA (0.44) ADRA2BMAPTGAATSHRMAPK1
SCHEMBL7215312 0.74 ADRA2B (0.47) ADRA2BLOXL2MAPTGAATSHR
SCHEMBL25302331 0.73 PDE3B (0.47) ADRA2B
SCHEMBL30522527 0.73 PDE3B (0.47) ADRA2B
SCHEMBL20085195 0.71 TAAR1 (0.46) MAPTGAATSHRMAPK1HTT
SCHEMBL14945019 0.71 TAAR1 (0.52) LOXL2AOC1AOC3
SCHEMBL272096 0.70 ALDH1A1 (0.56) MAPTGAATSHRMAPK1HTT

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
WO-2023091697-A2 MEDICAL IMAGING OF GLYCOGEN SYNTHASE KINASE-3 WITH A PET PROBE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-05-25 WO disclosed