SCHEMBL6964631

SCHEMBL6964631

CCOC(=O)CC1CCCN(CCCN2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.53
DRD2 P14416 8/20 0.48
DRD4 P21917 8/20 0.48
DRD3 P35462 8/20 0.48
CHRM2 P08172 7/20 0.48
CHRM4 P08173 7/20 0.48
CHRM5 P08912 7/20 0.48
CHRM1 P11229 7/20 0.48
CHRM3 P20309 7/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL8172170 0.90 SLC6A1 (0.52) SLC6A1DRD2DRD4DRD3CHRM2
SCHEMBL6968776 0.88 CHRM1 (0.59) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL5495902 0.85 SLC6A1 (0.59) SLC6A1DRD2DRD4DRD3CHRM2
Hydrochloric Acid SCHEMBL6971088 0.84 SLC6A1 (0.58) SLC6A1DRD2DRD4DRD3CHRM2
SCHEMBL8196728 0.84 SLC6A1 (0.63) SLC6A1DRD2
SCHEMBL8196471 0.84 SLC6A1 (0.63) SLC6A1DRD2
SCHEMBL8194500 0.83 CHRM1 (0.55) SLC6A1DRD2DRD4DRD3CHRM2
SCHEMBL8199176 0.82 SLC6A1 (0.63) SLC6A1DRD2
SCHEMBL7167660 0.81 LTA4H (0.53) SLC6A1DRD2DRD4DRD3CHRM2
SCHEMBL8187340 0.81 SLC6A1 (0.59) SLC6A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613791-B1 Treating migraine, neurogenic inflammation, rheumatoid arthritis or insulin resistance NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
US-6239148-B1 TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A ROLE BY ELICITING NEUROGENIC PAIN, INSULIN RESISTANCE IN DIABETES MELLITUS OR AGING, INHIBIT INSULIN ANTAGONIZING PEPTIDE, NOVO NORDISK A/S (DK) 2001-05-29 US disclosed
US-6166009-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK A/S (DK) 2000-12-26 US disclosed
US-6110913-A ANTIINFLAMMATORY AGENTS, ANALGESICS NOVO NORDISK A/S (DK) 2000-08-29 US disclosed
US-6071901-A TREATING PAIN, HYPERALGESIA AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE; INHIBITION OF NEUROGENIC INFLAMMATION INVOLVING THE RELEASE OF NEURO-PEPTIDE FROM PERIPHERAL AND CENTRAL ENDINGS OF SENSORY NERVES NOVO NORDISK A/S (DK) 2000-06-06 US disclosed
EP-0820451-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed