SCHEMBL6961863

SCHEMBL6961863

CCOC(=O)C1CCN(CCCN2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.57
CHRM4 P08173 9/20 0.57
CHRM5 P08912 9/20 0.57
CHRM1 P11229 9/20 0.57
CHRM3 P20309 9/20 0.57
DRD2 P14416 9/20 0.57
DRD4 P21917 9/20 0.57
DRD3 P35462 9/20 0.57
ADRB2 P07550 2/20 0.54
ADRB1 P08588 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
ALDH1A1 P00352 2/20 0.53
LTA4H P09960 1/20 0.51

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
SCHEMBL7172628 0.98 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6959063 0.91 DRD2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6963939 0.89 KDM4E (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7168047 0.89 KMT2A (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8196471 0.87 SLC6A1 (0.63) DRD2ALDH1A1
SCHEMBL8196728 0.87 SLC6A1 (0.63) DRD2ALDH1A1
SCHEMBL6968719 0.87 LMNA (0.52) CHRM1ALDH1A1
SCHEMBL6963502 0.85 SMN1; SMN2 (0.53) CHRM1ALDH1A1LTA4H
SCHEMBL8172344 0.85 CHRM1 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6964113 0.85 HSD17B10 (0.52) CHRM5DRD2DRD3ADRA1DALDH1A1

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