SCHEMBL6961973

SCHEMBL6961973

OCCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.68
CHRM1 P11229 10/20 0.62
CHRM3 P20309 10/20 0.62
SLC6A4 P31645 9/20 0.62
CHRM2 P08172 9/20 0.62
CHRM4 P08173 8/20 0.62
CHRM5 P08912 8/20 0.62
DRD2 P14416 7/20 0.62
DRD3 P35462 7/20 0.62
SLC6A2 P23975 5/20 0.62
ADRA2B P18089 4/20 0.62
ADRA2C P18825 4/20 0.62
HTR2C P28335 4/20 0.62
ADRA1A P35348 4/20 0.62
HRH1 P35367 4/20 0.62
OPRK1 P41145 4/20 0.62
SLC6A3 Q01959 4/20 0.62
KCNH2 Q12809 4/20 0.62
CYP3A4 P08684 4/20 0.62
DRD4 P21917 4/20 0.62

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
SCHEMBL7168298 0.94 HTR2A (0.66) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL8201084 0.93 HTR2A (0.59) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL7527914 0.89 CHRM1 (0.59) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL6637686 0.88 HTR2A (0.61) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL5661091 0.88 CHRM2 (0.67) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13051501 0.88 HTR2A (0.78) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL11467032 0.86 HTR2A (0.53) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL6963720 0.86 HTR2A (0.53) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL8195707 0.86 HTR2A (0.70) HTR2ACHRM1CHRM3SLC6A4CHRM2
SCHEMBL5710968 0.83 ALDH1A1 (0.53) HTR2ACHRM1CHRM3SLC6A4CHRM2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 WO disclosed
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
EP-0820443-B1 HETEROCYCLIC COMPOUNDS FOR TREATING DIABETES NOVO NORDISK AS (DK) 2001-09-19 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-0738262-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2000-04-19 EP disclosed
US-6043239-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF THE N-SUBSTITUENT; TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 US disclosed
WO-1997022342-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO disclosed
WO-1997022338-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO disclosed
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 US disclosed
EP-0738262-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-23 EP disclosed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed
WO-1996031481-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed
EP-0585314-B1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK AS (DK) 1996-09-18 EP disclosed
WO-1995018793-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1995-07-13 WO disclosed
US-5348965-A N-substituted azaheterocyclic carboxylic acids NOVO NORDISK A/S (DK) 1994-09-20 US disclosed