SCHEMBL21582005

SCHEMBL21582005

CCc1cc(Br)nn1CC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
GRM2 Q14416 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL18717726 0.79
SCHEMBL10193114 0.79 CA12 (0.40) ADORA2AADORA2BGAA
SCHEMBL26605563 0.77
SCHEMBL9608890 0.77 GAA (0.44) ADORA2AADORA2BGAAMAPT
SCHEMBL23398926 0.76 ADORA2A (0.35) ADORA2AADORA2B
SCHEMBL21737706 0.76 ADORA2A (0.35) ADORA2AADORA2B
SCHEMBL10141579 0.76 ADORA2A (0.35) ADORA2AADORA2B
SCHEMBL17196465 0.74
SCHEMBL18717725 0.72 ADORA2A (0.33) ADORA2AADORA2BGAAGRM2
SCHEMBL12951482 0.72 GRN (0.37) ADORA2AADORA2BMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3728257-A1 AUTOTAXIN INHIBITORS AND USES THEREOF Fronthera U.S. Pharmaceuticals LLC (US) 2020-10-28 EP disclosed
WO-2019228403-A1 AUTOTAXIN INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-12-05 WO disclosed