SCHEMBL6969671

SCHEMBL6969671

COC(=O)C1CCCN(CCCN2c3ccccc3CCc3ccccc32)C1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.46
DRD2 P14416 8/20 0.46
DRD4 P21917 7/20 0.46
CHRM1 P11229 6/20 0.46
CHRM2 P08172 5/20 0.46
CHRM3 P20309 4/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
SLC6A1 P30531 1/20 0.44
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
ADRA1A P35348 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 3/20 0.43
HTR2A P28223 3/20 0.43
CYP3A4 P08684 2/20 0.43
SLC22A2 O15244 2/20 0.43
SLC22A1 O15245 2/20 0.43
SLC22A3 O75751 2/20 0.43
CYP2D6 P10635 2/20 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
SCHEMBL6968670 0.88 SLC6A1 (0.48) DRD3DRD2DRD4CHRM1CHRM2
Hydrochloric Acid SCHEMBL6954403 0.87 SLC6A1 (0.47) DRD3DRD2DRD4CHRM1CHRM2
SCHEMBL6962464 0.75 SLC6A4 (0.46) DRD3DRD2DRD4CHRM1CHRM2
SCHEMBL6963485 0.74 KDM4E (0.51) DRD3DRD2DRD4CHRM1CHRM2
SCHEMBL6956787 0.73 CHRM1 (0.48) DRD3DRD2DRD4CHRM1CHRM2
SCHEMBL6964395 0.73 CHRM1 (0.46) DRD3DRD2DRD4CHRM1CHRM2
SCHEMBL7167363 0.72 KDM4E (0.51) DRD3CHRM1CHRM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6964665 0.72 CHRM1 (0.47) DRD3DRD2DRD4CHRM1CHRM2
SCHEMBL6957645 0.71 CHRM1 (0.47) DRD3DRD2DRD4CHRM1CHRM2
Water SCHEMBL6969320 0.71 DRD2 (0.42) DRD3DRD2DRD4CHRM1CHRM2

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