SCHEMBL7815482

SCHEMBL7815482

O=C(O)[C@@H]1CCCN(CCCC2c3ccccc3CSc3ccccc32)C1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.50

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
Hydrochloric Acid SCHEMBL7815587 0.99 SLC6A1 (0.49) SLC6A1
SCHEMBL7811752 0.87 ALDH1A1 (0.52)
SCHEMBL7611096 0.86 SLC6A1 (0.60) SLC6A1
Hydrochloric Acid SCHEMBL8187690 0.85 SLC6A1 (0.59) SLC6A1
SCHEMBL9085099 0.78 SLC6A1 (0.66) SLC6A1
SCHEMBL7679562 0.77 SLC6A1 (0.48) SLC6A1
Hydrochloric Acid SCHEMBL8859038 0.77 SLC6A1 (0.65) SLC6A1
SCHEMBL8859090 0.76 SLC6A1 (0.70) SLC6A1
Hydrochloric Acid SCHEMBL7682407 0.76 SLC6A1 (0.47) SLC6A1
Hydrochloric Acid SCHEMBL8859067 0.76 SLC6A1 (0.69) SLC6A1

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-0869954-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF NEUROGENIC INFLAMMATION NOVO NORDISK AS (DK) 2001-09-19 EP disclosed