SCHEMBL9083544

SCHEMBL9083544

O=C(O)O[C@@H]1CCCN(CCON=CC2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.43

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
SCHEMBL9083541 0.86 SLC6A1 (0.58) SLC6A1
SCHEMBL9086046 0.86 SLC6A1 (0.58) SLC6A1
Hydrochloric Acid SCHEMBL9404603 0.85 SLC6A1 (0.57) SLC6A1
SCHEMBL9087013 0.81 CYP3A4 (0.46) SLC6A1
SCHEMBL8859050 0.80 ALDH1A1 (0.53)
SCHEMBL9085531 0.80 ALDH1A1 (0.53)
SCHEMBL9083719 0.79 SLC6A1 (0.52) SLC6A1
SCHEMBL8201730 0.79 CHRNB2 (0.50) SLC6A1
SCHEMBL9082634 0.77 SLC6A1 (0.48) SLC6A1
SCHEMBL9085476 0.75 CHRNB2 (0.45) 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-0585314-B1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK AS (DK) 1996-09-18 EP claimed