SCHEMBL9084697

SCHEMBL9084697

O=C(O)C1CCCN(CCOCCN2c3ccccc3Sc3ccccc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 1.00

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
SCHEMBL9084381 1.00 SLC6A1 (1.00) SLC6A1
Hydrochloric Acid SCHEMBL8859095 0.99 SLC6A1 (0.98) SLC6A1
Hydrochloric Acid SCHEMBL8859093 0.99 SLC6A1 (0.98) SLC6A1
Phenothiazine SCHEMBL9090224 0.92 SLC6A1 (0.85) SLC6A1
SCHEMBL9084684 0.92 SLC6A1 (0.84) SLC6A1
SCHEMBL9084672 0.92 SLC6A1 (0.84) SLC6A1
Hydrochloric Acid SCHEMBL8859079 0.91 SLC6A1 (0.82) SLC6A1
Hydrochloric Acid SCHEMBL8859074 0.91 SLC6A1 (0.82) SLC6A1
SCHEMBL7607241 0.90 SLC6A1 (0.82) SLC6A1
SCHEMBL7607235 0.90 SLC6A1 (0.82) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735872-A1 A METHOD OF TREATING NEUROGENIC INFLAMMATION NOVO NORDISK A/S (DK) 1996-10-09 EP claimed
EP-0585314-B1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK AS (DK) 1996-09-18 EP claimed
WO-1995018615-A1 A METHOD OF TREATING NEUROGENIC INFLAMMATION NOVO NORDISK A/S (DK) 1995-07-13 WO claimed
EP-0585314-B1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK AS (DK) 1996-09-18 EP disclosed
EP-0585314-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS. NOVO NORDISK AS (DK) 1994-03-09 EP disclosed
WO-1992020658-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK A/S (DK) 1992-11-26 WO disclosed