SCHEMBL5266309

SCHEMBL5266309

CC(C)(C)N1CCC(CCc2cccc(C(N)=O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.51
MAOB P27338 3/20 0.46
OPRK1 P41145 3/20 0.45
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
KCNH2 Q12809 1/20 0.45
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
GAA P10253 1/20 0.40
KDM1A O60341 2/20 0.40
BCHE P06276 1/20 0.39
IDH1 O75874 1/20 0.39
MAOA P21397 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
SCHEMBL5264931 0.85 CYP4F2 (0.54) ALDH1A1PARP1
SCHEMBL28284087 0.85 PARP14 (0.51) PARP14MAOBOPRK1OPRM1OPRD1
SCHEMBL15310414 0.84 PARP14 (0.60) PARP14MAOBOPRK1OPRM1OPRD1
SCHEMBL1532900 0.82 KDM4E (0.54) PARP14MAOB
SCHEMBL27702480 0.81 HRH3 (0.48) PARP14MAOBKCNH2ACHE
SCHEMBL12736064 0.79 ROCK2 (0.47) PARP14MAOBOPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL1532855 0.78 ROCK2 (0.47) PARP14MAOBOPRK1OPRM1OPRD1
SCHEMBL23022734 0.76 CARM1 (0.57) MAOBMAOA
SCHEMBL1532748 0.73 FAAH (0.54) PARP14MAOBOPRK1OPRM1KCNH2
SCHEMBL12509044 0.72 PARP14 (0.55) PARP14LMNATNKSPARP1

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-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 EP disclosed