SCHEMBL5709463

SCHEMBL5709463

CNC(=O)OC1CCN(CCCc2cc(-c3ccc(Cl)cc3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 13/20 0.43
DRD4 P21917 13/20 0.43
DRD3 P35462 13/20 0.43
LMNA P02545 1/20 0.43
CXCR1 P25024 1/20 0.43
NOTUM Q6P988 1/20 0.41

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
SCHEMBL5709438 0.94 POLB (0.47) POLBJAK2ALDH1A1HTTSMN1; SMN2
SCHEMBL5709441 0.84 MAPT (0.45) POLBHTTSMN1; SMN2DRD2DRD4
SCHEMBL5709515 0.80 CYP1A2 (0.45) POLBALDH1A1SMN1; SMN2DRD2DRD4
SCHEMBL3594360 0.79 DRD2 (0.45) POLBJAK2ALDH1A1HTTSMN1; SMN2
SCHEMBL3594357 0.79 USP30 (0.49) POLBJAK2ALDH1A1HTTSMN1; SMN2
SCHEMBL2976745 0.78 JAK2 (0.42) POLBJAK2ALDH1A1HTTSMN1; SMN2
SCHEMBL2976748 0.78 JAK2 (0.42) POLBJAK2ALDH1A1HTTSMN1; SMN2
SCHEMBL2179185 0.78 FAAH (0.47) POLBJAK2ALDH1A1HTTSMN1; SMN2
SCHEMBL4311229 0.78 DRD2 (0.45) POLBJAK2ALDH1A1HTTSMN1; SMN2
SCHEMBL5477728 0.77 DRD2 (0.54) POLBJAK2ALDH1A1HTTSMN1; 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-1720550-A1 DERIVATIVES OF PIPERIDINYLALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005089759-A1 DERIVATIVES OF PIPERIDINYLALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed