SCHEMBL30503563

SCHEMBL30503563

Cn1cc(C(F)(F)F)c2ccc(Br)nc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
HTT P42858 1/20 0.34
SCN9A Q15858 2/20 0.33
MAOB P27338 1/20 0.32
HSD11B1 P28845 2/20 0.32
AR P10275 1/20 0.32
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30

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
SCHEMBL30503618 0.80 LRRK2 (0.47) LRRK2SCN9AHSD11B1AR
SCHEMBL30224284 0.80 MAOB (0.30) MAOB
SCHEMBL23993315 0.80 MAOB (0.30) MAOB
SCHEMBL30503569 0.77
SCHEMBL15333670 0.75
SCHEMBL18538033 0.72 MAT2A (0.36) LRRK2SCN9A
SCHEMBL23937871 0.71 DYRK1A (0.46) LRRK2MAOB
SCHEMBL25437806 0.70 LRRK2 (0.36) LRRK2HSD11B1
SCHEMBL12127453 0.69 OPRM1 (0.44)
SCHEMBL31403719 0.69 LRRK2 (0.43) LRRK2HTTMAOB

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-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed