SCHEMBL6967916

SCHEMBL6967916

CCOC(=O)C1CCN(CCCN2c3ccc(Br)cc3CCc3cc(Br)ccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
KCNH2 Q12809 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
CCR5 P51681 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
CHRM1 P11229 1/20 0.45

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
Hydrochloric Acid SCHEMBL6967912 0.99 TP53 (0.47) TP53MEN1KMT2AMAPK1ALDH1A1
SCHEMBL6961863 0.85 CHRM2 (0.57) ALDH1A1CHRM1
SCHEMBL5501083 0.85 DRD2 (0.47) CHRM1
Hydrochloric Acid SCHEMBL6969855 0.84 DRD2 (0.46) CHRM1
SCHEMBL6968719 0.83 LMNA (0.52) TP53KMT2AALDH1A1MAPTKCNH2
SCHEMBL7172628 0.83 CHRM2 (0.54) ALDH1A1KCNH2KDM4EHRH3CHRM1
SCHEMBL6964113 0.81 HSD17B10 (0.52) MEN1KMT2AALDH1A1KCNH2KDM4E
SCHEMBL6959063 0.79 DRD2 (0.52) TP53MEN1KMT2AMAPK1MAPT
SCHEMBL6963939 0.78 KDM4E (0.52) KMT2AALDH1A1KDM4ECHRM1
SCHEMBL7168047 0.77 KMT2A (0.52) TP53MEN1KMT2AMAPK1MAPT

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-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