SCHEMBL13680800

SCHEMBL13680800

NC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.52
AOC3 Q16853 4/20 0.44
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CNR1 P21554 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
AKT2 P31751 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
PEPD P12955 1/20 0.39
PDE4D Q08499 1/20 0.39
CSF1R P07333 1/20 0.39
FLT1 P17948 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL13680796 0.86 AOC3 (0.56) AOC3FFAR1MAPT
SCHEMBL13680803 0.84 CNR1 (0.44) AOC3FFAR1CNR1CSF1RFLT1
SCHEMBL13680802 0.84 MGLL (0.45) AOC3FFAR1MAPTGPR52
SCHEMBL13680807 0.83 AOC3 (0.61) AOC3
SCHEMBL13680794 0.82 AOC3 (0.53) AOC3GPR52PDE4D
SCHEMBL13680792 0.78 MEN1 (0.42) KIF11AOC3FFAR1FFAR4GAA
SCHEMBL8413593 0.78 TAAR1 (0.44) GPR52
SCHEMBL418611 0.77 GPR52 (0.50) AOC3FFAR1FFAR4GPR52
SCHEMBL13681324 0.77 BCL2 (0.63) AOC3GPR52
SCHEMBL13680788 0.76 MAPT (0.50) AOC3MAPTGPR52

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed