SCHEMBL3128358

SCHEMBL3128358

Cc1ccc(OC2C[N]C2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FPR2 P25090 4/20 0.34
PROKR1 Q8TCW9 4/20 0.34
NISCH Q9Y2I1 1/20 0.34
SLC6A3 Q01959 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
AMY1A P0DUB6 1/20 0.32
KDM1A O60341 1/20 0.32
P2RX7 Q99572 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
SCHEMBL3126426 0.86 HCRTR1 (0.42) FFAR4PTGS1PTGS2FPR2PROKR1
SCHEMBL2296925 0.84 GRIN1 (0.39) FFAR4PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL20780665 0.84 PTGS1 (0.47) FFAR4PTGS1PTGS2FPR2PROKR1
SCHEMBL8251445 0.79 FFAR4 (0.38) FFAR4PTGS1PTGS2FPR2PROKR1
SCHEMBL3126765 0.79 SLC6A2 (0.53) SLC6A3SLC6A2SLC6A4
SCHEMBL2300752 0.79 SLC6A4 (0.45) PTGS1PTGS2FPR2PROKR1SLC6A3
SCHEMBL169750 0.77 SYK (0.44) FFAR4PTGS1PTGS2HRH3
SCHEMBL12330286 0.77 IDO1 (0.39) FFAR4PTGS1PTGS2SLC6A3MRGPRX4
SCHEMBL2297195 0.76 SLC6A4 (0.45) SLC6A3SLC6A2SLC6A4
SCHEMBL2299212 0.76 SLC6A2 (0.45) FPR2PROKR1SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed