SCHEMBL3923329

SCHEMBL3923329

CNc1ccc(CN2CCN(C(=O)OCC(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.52
KIT P10721 1/20 0.52
POLB P06746 3/20 0.48
PKM P14618 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PLA2G7 Q13093 1/20 0.44
MGLL Q99685 1/20 0.44
ABHD6 Q9BV23 1/20 0.44

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
SCHEMBL3911272 0.85 POLB (0.50) FAAHKITPOLBPKMATM
SCHEMBL2359227 0.82 FAAH (0.49) FAAHKITPOLBPKMATM
SCHEMBL3910612 0.81 MGLL (0.58) ALDH1A1SMN1; SMN2L3MBTL1MGLL
SCHEMBL377536 0.80 VEGFA (0.53) FAAHALDH1A1HTTSMN1; SMN2HRH3
SCHEMBL14586757 0.78 HRH3 (0.71) FAAHPOLBATMALDH1A1HRH3
SCHEMBL4054843 0.76 KDM4E (0.56) FAAHPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL6425987 0.75 ALDH1A1 (0.48) FAAHATMALDH1A1HTTSMN1; SMN2
SCHEMBL3910347 0.73 HRH1 (0.48) KITPOLBHRH3
SCHEMBL3402093 0.73 ALDH1A1 (0.48) FAAHALDH1A1HTTL3MBTL1MGLL
SCHEMBL22815125 0.73 NPC1 (0.52) FAAHPOLBATMALDH1A1HRH3

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-2041093-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed