SCHEMBL6954568

SCHEMBL6954568

CCOC(=O)C1CN(CCCN2c3ccccc3CCc3ccccc32)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.46
DRD2 P14416 10/20 0.46
DRD4 P21917 10/20 0.46
CHRM2 P08172 8/20 0.46
CHRM1 P11229 8/20 0.46
CHRM4 P08173 7/20 0.46
CHRM5 P08912 7/20 0.46
CHRM3 P20309 7/20 0.46
SLC6A1 P30531 1/20 0.45
ADRA1A P35348 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
SLC6A4 P31645 2/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL5499273 0.85 SLC6A1 (0.52) DRD3DRD2DRD4CHRM2CHRM1
Potassium Ion SCHEMBL6957972 0.84 CHRM2 (0.47) DRD3DRD2DRD4CHRM2CHRM1
SCHEMBL8196728 0.80 SLC6A1 (0.63) DRD2SLC6A1HTR1A
SCHEMBL8196471 0.80 SLC6A1 (0.63) DRD2SLC6A1HTR1A
SCHEMBL6961863 0.80 CHRM2 (0.57) DRD3DRD2DRD4CHRM2CHRM1
SCHEMBL6968486 0.80 DRD3 (0.46) DRD3DRD2DRD4CHRM2CHRM1
SCHEMBL8199176 0.78 SLC6A1 (0.63) DRD2SLC6A1HTR1A
SCHEMBL6967020 0.78 SLC6A1 (0.49) DRD3DRD2DRD4CHRM2CHRM1
SCHEMBL8187340 0.78 SLC6A1 (0.59) DRD2SLC6A1HTR1A
SCHEMBL7172628 0.78 CHRM2 (0.54) DRD3DRD2DRD4CHRM2CHRM1

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