SCHEMBL13848615

SCHEMBL13848615

CCCC(CC)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALOX5 P09917 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
NR1I2 O75469 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CYP17A1 P05093 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL14516277 0.89 NR1I2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4TAS1R3
SCHEMBL12464829 0.87 ALOX5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL941963 0.87 NR1I2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL12193852 0.85 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4TAS1R3
SCHEMBL20987465 0.84 ALOX5 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4TAS1R3
SCHEMBL20760340 0.82 NR1I2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4TAS1R3
SCHEMBL27500577 0.80 ALOX5 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4TAS1R3
SCHEMBL22995905 0.80 ALOX5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL2992960 0.80 ALOX5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL9880967 0.78 ALOX5 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4TAS1R3

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-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP disclosed