SCHEMBL8088904

SCHEMBL8088904

C=CCC1CCN1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.37
CTSG P08311 2/20 0.37
F2 P00734 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
DPP4 P27487 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL5992716 0.82 ELANE (0.35) ELANECTSGF2CHRNB2CHRNB4
SCHEMBL2308749 0.75
Hydrochloric Acid SCHEMBL3130481 0.74 POLB (0.50) DPP4
SCHEMBL29060151 0.72 POLB (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27855134 0.72 POLB (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7073933 0.70 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL30874123 0.70 POLB (0.39)
SCHEMBL3791425 0.69 ALOX5 (0.40)
SCHEMBL27319486 0.69 PDK1 (0.35) DPP4
SCHEMBL29412367 0.69 PDK1 (0.35) DPP4

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-1049672-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP claimed
WO-1999037612-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO claimed