SCHEMBL7461306

SCHEMBL7461306

CN1CCC(c2ccc([N+](=O)[O-])cc2)C(COS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7314835 0.88 SLC6A3 (0.48)
SCHEMBL8602315 0.88 SLC6A3 (0.48)
SCHEMBL8602312 0.88 SLC6A3 (0.48)
SCHEMBL7314846 0.88 SLC6A3 (0.48)
SCHEMBL7421806 0.88 SLC6A3 (0.48)
SCHEMBL7246774 0.85 SLC6A3 (0.42)
SCHEMBL7241761 0.85 SLC6A3 (0.42)
SCHEMBL8604270 0.84 SLC6A2 (0.43)
SCHEMBL8604267 0.84 SLC6A2 (0.43)
SCHEMBL6598452 0.78 CYP2D6 (0.46) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558487-B1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1998-10-07 EP disclosed
US-5328917-A Aminoalkyl and phenyl substituted hydrogenated pyridines NOVO NORDISK A/S (DK) 1994-07-12 US disclosed
EP-0558487-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-08 EP disclosed
WO-1992001672-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-02-06 WO disclosed