SCHEMBL8775847

SCHEMBL8775847

O=CCC(c1ccccc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.53
GOPC Q9HD26 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TBXAS1 P24557 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KCNA5 P22460 5/20 0.47
KCNH2 Q12809 2/20 0.47
KCNN4 O15554 2/20 0.47
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 4/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9313089 0.85 PDE4D (0.45) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL4604382 0.83 SLC6A3 (0.55) SLC6A2SLC6A4SLC6A3SMN1; SMN2KDM4E
SCHEMBL8775911 0.83 TBXAS1 (0.56) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL68782 0.82 HTR2A (0.46) KDM4ECYP2C19
SCHEMBL2299246 0.82 CFTR (0.53) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL9312935 0.81 PDE4D (0.40) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL8775906 0.79 TBXAS1 (0.63) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL7043773 0.79 CFTR (0.44) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL27420791 0.78 CFTR (0.49) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL8775954 0.78 TBXAS1 (0.66) CFTRGOPCSLC6A2SLC6A4SLC6A3

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-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed