SCHEMBL5045633

SCHEMBL5045633

CC(O)COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.61
SLC6A5 Q9Y345 6/20 0.61
ENPP2 Q13822 4/20 0.55
KCNH2 Q12809 1/20 0.54
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.50
IDE P14735 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MGLL Q99685 1/20 0.46

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
SCHEMBL4419697 0.94 SLC6A9 (0.61) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL5045609 0.91 SLC6A9 (0.59) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL5045612 0.91 SLC6A9 (0.59) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL5038044 0.89 SLC6A9 (0.65) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL5037807 0.89 SLC6A9 (0.60) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL4427344 0.88 SLC6A9 (0.66) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL5041982 0.88 SLC6A9 (0.59) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL4422175 0.87 SLC6A9 (0.62) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL4425815 0.87 SLC6A9 (0.62) SLC6A9SLC6A5ENPP2KCNH2LMNA
SCHEMBL4425899 0.87 SLC6A9 (0.72) SLC6A9SLC6A5ENPP2KCNH2LMNA

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-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed