SCHEMBL9084665

SCHEMBL9084665

O=C(O)CC1CCN(CCOCCN2c3ccccc3CCc3ccccc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 0.67

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 SCHEMBL9084393 0.99 SLC6A1 (0.66) SLC6A1
SCHEMBL7605943 0.90 CHRM2 (0.57) SLC6A1
SCHEMBL5498886 0.90 CHRM2 (0.55) SLC6A1
Hydrochloric Acid SCHEMBL8198843 0.89 CHRM2 (0.56) SLC6A1
Hydrochloric Acid SCHEMBL7171361 0.89 CHRM2 (0.54) SLC6A1
SCHEMBL8859018 0.88 SLC6A1 (0.60) SLC6A1
SCHEMBL5495902 0.83 SLC6A1 (0.59) SLC6A1
SCHEMBL5495875 0.82 CHRM1 (0.63)
Hydrochloric Acid SCHEMBL6971088 0.82 SLC6A1 (0.58) SLC6A1
Hydrochloric Acid SCHEMBL6970264 0.81 CHRM1 (0.61)

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 3 patents. 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
EP-0585314-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS. NOVO NORDISK AS (DK) 1994-03-09 EP claimed
WO-1992020658-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK A/S (DK) 1992-11-26 WO claimed