SCHEMBL8604267

SCHEMBL8604267

COc1ccc([C@H]2CCN(C)C[C@@H]2COS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL8604270 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL8602312 0.91 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL7314835 0.91 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL8602315 0.91 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL7421806 0.91 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL7314846 0.91 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL7241761 0.88 SLC6A3 (0.42) SLC6A3
SCHEMBL7246774 0.88 SLC6A3 (0.42) SLC6A3
SCHEMBL7461306 0.84 ALDH1A1 (0.40)
SCHEMBL8606660 0.82 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339579-B1 Piperidine compositions and their preparation and use NOVO NORDISK AS (DK) 1998-07-15 EP disclosed
US-5227379-A 1-Heterocycyl-4-phenyl substituted, calcium-channel antagonists NOVO NORDISK A/S (DK) 1993-07-13 US disclosed
US-5208232-A Anoxia, migraine; antiepileptic and antiischemic agents NOVO NORDISK A/S (DK) 1993-05-04 US disclosed
US-5158961-A Treatment of anoxia, migraine, ischemica and epilepsy NOVO NORDISK A/S (DK) 1992-10-27 US disclosed
US-5017585-A Piperidine compounds NOVO NORDISK A/S (DK) 1991-05-21 US disclosed
EP-0339579-A2 Piperidine compositions and their preparation and use NOVO NORDISK A/S (DK) 1989-11-02 EP disclosed