SCHEMBL1721777

SCHEMBL1721777

CC(C)OC(=O)N1CC(OCCC(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP1A2 P05177 1/20 0.35
P2RY12 Q9H244 5/20 0.34
GPR119 Q8TDV5 1/20 0.33
PDE4B Q07343 2/20 0.32
FAAH O00519 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32

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
SCHEMBL1721052 0.85 GPR119 (0.44) P2RY12GPR119FAAH
SCHEMBL1721178 0.78 NR1H2 (0.48) GPR119
SCHEMBL19686595 0.74 CHRNB2 (0.37) CHRNB2CHRNA4GPR119PDE4BHDAC2
SCHEMBL19686575 0.74 CHRNB2 (0.40) CHRNB2CHRNA4GPR119PDE4BHDAC2
SCHEMBL609845 0.72 CHRNB2 (0.37) CHRNB2CHRNA4GPR119PDE4BHDAC2
SCHEMBL1721384 0.72 PIK3CD (0.35) GPR119PDE4BFAAH
SCHEMBL1721381 0.72 GPR119 (0.43) GPR119PDE4BFAAH
SCHEMBL14752960 0.71 MAPT (0.39) CHRNB2CHRNA4GPR119PDE4BHDAC2
SCHEMBL12206742 0.70 HDAC2 (0.36) CHRNB2CHRNA4GPR119PDE4BHDAC2
SCHEMBL10139547 0.70 CHRNB2 (0.50) CHRNB2CHRNA4GPR119PDE4BHDAC2

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-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed