SCHEMBL5043638

SCHEMBL5043638

O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(c2ccccc2F)CC1.O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 15/20 0.75
SLC6A9 P48067 15/20 0.75
PAX8 Q06710 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.71
IDE P14735 1/20 0.71

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
SCHEMBL3925750 0.97 SLC6A5 (0.79) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL3923023 0.91 TDP1 (0.68) SLC6A5SLC6A9PAX8SMN1; SMN2
SCHEMBL5046650 0.87 SLC6A9 (0.80) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL3921080 0.87 SLC6A9 (0.79) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL3919355 0.86 SLC6A5 (1.00) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL3920692 0.86 PAX8 (1.00) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL13687926 0.85 SLC6A9 (0.76) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL3919360 0.85 SLC6A9 (0.80) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL13687887 0.84 IDE (0.88) SLC6A5SLC6A9PAX8SMN1; SMN2IDE
SCHEMBL3917370 0.83 SLC6A9 (1.00) SLC6A5SLC6A9PAX8SMN1; SMN2IDE

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
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed