SCHEMBL3938952

SCHEMBL3938952

O=C(O)NCC1CCN(CCc2ccc3ccccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
DRD4 P21917 3/20 0.55
CXCR3 P49682 1/20 0.53
SLC6A4 P31645 3/20 0.53
HTR1A P08908 1/20 0.53
BCHE P06276 2/20 0.51
MAOB P27338 1/20 0.51
SLC6A2 P23975 1/20 0.51
CXCR4 P61073 1/20 0.49
LTA4H P09960 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MCHR1 Q99705 1/20 0.48
DRD2 P14416 1/20 0.47
FAAH O00519 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL3937208 0.88 MCHR1 (0.62) DRD4BCHECXCR4SIGMAR1MCHR1
SCHEMBL23123778 0.86 CCR3 (0.61) BCHELTA4HSIGMAR1FAAHACHE
SCHEMBL3937679 0.83 DRD4 (0.69) HRH3DRD4CXCR3SLC6A4SIGMAR1
SCHEMBL3594120 0.81 MAPT (0.55) SLC6A4HTR1ACXCR4SIGMAR1
SCHEMBL3938247 0.79 HTR1A (0.53) DRD4SLC6A4HTR1ASIGMAR1
SCHEMBL3594346 0.78 LTA4H (0.55) BCHELTA4HFAAHACHE
SCHEMBL3598405 0.77 L3MBTL1 (0.50) HRH3DRD4MAOBLTA4HSIGMAR1
SCHEMBL3946379 0.76 MCHR1 (0.63) SIGMAR1MCHR1ACHE
SCHEMBL3938953 0.76 CCR4 (0.58) HRH3DRD4CXCR3SLC6A4MAOB
SCHEMBL5487639 0.76 HRH3 (0.66) HRH3DRD4CXCR3SLC6A4SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720550-B1 DERIVATIVES OF PIPERIDINYLALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-04-15 EP disclosed