SCHEMBL24045889

SCHEMBL24045889

O=C1C=CCCN1c1ccc(-c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
SCN9A Q15858 5/20 0.38
MGLL Q99685 1/20 0.38
SCN5A Q14524 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
LIPE Q05469 2/20 0.36
FPR2 P25090 1/20 0.36
UGCG Q16739 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PDE2A O00408 1/20 0.35
DHODH Q02127 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K1 Q92918 1/20 0.35

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
SCHEMBL24045754 0.84 UGCG (0.46) FPR2UGCG
SCHEMBL24045898 0.81 SLC6A7 (0.40) FFAR4MGLLTRPA1
SCHEMBL24045702 0.79 DGAT1 (0.44) FPR2DHODH
SCHEMBL13835336 0.79 LIPE (0.42) LIPE
SCHEMBL24045708 0.77 UGCG (0.41) FPR2UGCGDHODH
SCHEMBL24045707 0.77 DGAT1 (0.44) MGLL
SCHEMBL24045770 0.75 UGCG (0.47) UGCGROCK2
SCHEMBL24045883 0.74 FPR2 (0.40) FPR2DHODHROCK2
SCHEMBL24045755 0.74 FPR1 (0.42) MGLLFPR2
SCHEMBL24045767 0.73 FPR2 (0.42) FPR2

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