SCHEMBL24045802

SCHEMBL24045802

O=C1C=CCCN1c1ccc(-c2cccc(F)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PDE1B Q01064 3/20 0.33
PDE4A P27815 2/20 0.32
PDE1A P54750 2/20 0.32
ALOX5 P09917 1/20 0.32
ROCK2 O75116 2/20 0.31
MAPKAPK2 P49137 1/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
DRD3 P35462 2/20 0.31
HTR2B P41595 2/20 0.31
SCN9A Q15858 2/20 0.31
CNR2 P34972 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD11B1 P28845 1/20 0.30
COMT P21964 1/20 0.30
AOC3 Q16853 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
SCHEMBL24045873 0.81 BACE1 (0.43) ALOX5ROCK2
SCHEMBL24045892 0.76 TAAR1 (0.45) ROCK2HTR1AHSD11B1
SCHEMBL24045883 0.75 FPR2 (0.40) ROCK2CNR2
SCHEMBL24045702 0.74 DGAT1 (0.44) MAPTHSD11B1
SCHEMBL24045705 0.73 BCHE (0.38) MAPTPDE4ADRD2CYP2C9COMT
SCHEMBL24045791 0.73 CYP11B2 (0.38) MAPT
SCHEMBL24045949 0.72 FPR1 (0.40) ROCK2HTR2AHTR2CHTR2BCNR2
SCHEMBL24045762 0.71 EGLN1 (0.38) ROCK2
SCHEMBL24045716 0.69 FAAH (0.47) ROCK2
SCHEMBL15875300 0.69 FAAH (0.47)

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
EP-3414227-B1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed