SCHEMBL8123785

SCHEMBL8123785

Cc1ccccc1-c1[c]ccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 4/20 0.41
CHRM5 P08912 1/20 0.38
S1PR1 P21453 2/20 0.36
KIF11 P52732 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
SCN9A Q15858 1/20 0.33
PDE10A Q9Y233 1/20 0.32
AR P10275 1/20 0.32
SLC6A4 P31645 1/20 0.32
PDK2 Q15119 1/20 0.32
SCN5A Q14524 1/20 0.32
HTT P42858 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8131840 0.88 GPR3 (0.36) GPR3CHRM5S1PR1KIF11SCN9A
SCHEMBL7687772 0.83 GPR3 (0.45) GPR3KIF11FFAR4
SCHEMBL8125196 0.81 CYP1A2 (0.40) GPR3
SCHEMBL8128678 0.78 LTA4H (0.39)
SCHEMBL8125229 0.78 METAP2 (0.38) GPR3CHRM5KIF11
SCHEMBL8129685 0.77 PDE10A (0.36) GPR3PDE10A
SCHEMBL7799755 0.77 P2RX7 (0.38) GPR3CHRM5PDK2
SCHEMBL8143605 0.76 P2RY1 (0.35) GPR3KIF11
SCHEMBL9523594 0.74 NPC1 (0.40) PDE10A
SCHEMBL538958 0.73 GPR3 (0.41) GPR3KIF11SCN9ASCN5AFFAR4

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
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed