SCHEMBL6963449

SCHEMBL6963449

CCOC(=O)C1CCCCN1CCC=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
CHRM1 P11229 1/20 0.44
HRH1 P35367 2/20 0.43
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL6966869 1.00 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6962597 1.00 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8500525 0.90 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6969835 0.90 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6954211 0.86 LTA4H (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6964659 0.86 LTA4H (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6967684 0.85 CHRM1 (0.46) SMN1; SMN2CHRM1
SCHEMBL6966900 0.85 CHRM1 (0.46) SMN1; SMN2CHRM1
SCHEMBL5494553 0.85 CHRM1 (0.46) SMN1; SMN2CHRM1
Hydrochloric Acid SCHEMBL6961948 0.84 SLC6A1 (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; 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