SCHEMBL6964113

SCHEMBL6964113

CCOC(=O)C1CCN(CCCN2c3cc(Cl)ccc3CCc3ccc(Cl)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
HTR6 P50406 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL6959063 0.95 DRD2 (0.52) HSD17B10KDM4ECHRM5ADRA2ACYP2D6
SCHEMBL7168047 0.93 KMT2A (0.52) HSD17B10KDM4ECHRM5ADRA2ACYP2D6
SCHEMBL6968719 0.89 LMNA (0.52) HSD17B10ALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL6961863 0.85 CHRM2 (0.57) ALDH1A1CHRM5DRD2ADRA1DDRD3
SCHEMBL5500236 0.85 DRD2 (0.54) KDM4ECHRM5ADRA2ACYP2D6DRD2
SCHEMBL8196738 0.84 KDM4E (0.55) ALDH1A1KDM4EDRD2HTR2A
Hydrochloric Acid SCHEMBL6969742 0.84 DRD2 (0.53) KDM4ECHRM5ADRA2ACYP2D6DRD2
SCHEMBL7172628 0.83 CHRM2 (0.54) ALDH1A1KDM4ECHRM5DRD2ADRA1D
SCHEMBL6963939 0.82 KDM4E (0.52) ALDH1A1KDM4ECHRM5DRD2ADRA1D
SCHEMBL6967916 0.81 TP53 (0.48) ALDH1A1KDM4ESMN1; SMN2HRH3MEN1

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 7 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
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