SCHEMBL6964659

SCHEMBL6964659

COC(=O)[C@H]1CCCN1CCC=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
SLC6A2 P23975 4/20 0.44
CYP3A4 P08684 4/20 0.44
HRH1 P35367 4/20 0.44
DRD3 P35462 4/20 0.44
LMNA P02545 3/20 0.44
CHRM1 P11229 3/20 0.44
DRD2 P14416 3/20 0.44
DRD1 P21728 3/20 0.44
CYP1A2 P05177 3/20 0.44
RET P07949 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRB2 P07550 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
ADRB1 P08588 2/20 0.44
HTR1A P08908 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2A P08913 2/20 0.44

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
SCHEMBL6954211 1.00 LTA4H (0.49) LTA4HSLC6A2CYP3A4HRH1DRD3
SCHEMBL5501023 0.86 CHRM1 (0.42) SLC6A2CYP3A4HRH1DRD3LMNA
SCHEMBL5498207 0.86 CHRM1 (0.42) SLC6A2CYP3A4HRH1DRD3LMNA
SCHEMBL6963449 0.86 KDM4E (0.49) HRH1DRD3CHRM1DRD2DRD1
SCHEMBL6962597 0.86 KDM4E (0.49) HRH1DRD3CHRM1DRD2DRD1
SCHEMBL6966869 0.86 KDM4E (0.49) HRH1DRD3CHRM1DRD2DRD1
Hydrochloric Acid SCHEMBL6957963 0.85 SLC6A1 (0.43) SLC6A2CYP3A4HRH1DRD3LMNA
Hydrochloric Acid SCHEMBL6969405 0.85 SLC6A1 (0.43) SLC6A2CYP3A4HRH1DRD3LMNA
SCHEMBL6966900 0.83 CHRM1 (0.46) CHRM1SMN1; SMN2
SCHEMBL6967684 0.83 CHRM1 (0.46) CHRM1SMN1; SMN2

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