SCHEMBL6880128

SCHEMBL6880128

C=C1CCN(C(=O)OC(F)CCC)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.35
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABHD6 Q9BV23 1/20 0.31
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
GRM5 P41594 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
SCHEMBL5595638 0.86 ALDH1A1 (0.33) ALDH1A1POLBHTTSMN1; SMN2ABHD6
SCHEMBL5713338 0.82 L3MBTL1 (0.38) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3664525 0.81 L3MBTL1 (0.40) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3636033 0.78 CA2 (0.35) ALDH1A1POLBHTTSMN1; SMN2ABHD6
SCHEMBL4440022 0.77 DPP4 (0.39) DPP8ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL13176061 0.76 DPP8 (0.40) DPP8ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL8815940 0.76 ALDH1A1 (0.41) ALDH1A1POLBHTTSMN1; SMN2CYP3A4
SCHEMBL4767291 0.74 CTSK (0.38) DPP8ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6622774 0.74 ALOX15 (0.37) ALDH1A1POLBHTTSMN1; SMN2ABHD6
SCHEMBL3664088 0.74 GAA (0.35) DPP8ALDH1A1POLBHTTSMN1; SMN2

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-1444203-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2004-08-11 EP disclosed
WO-2003042174-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2003-05-22 WO disclosed