SCHEMBL8172170

SCHEMBL8172170

CCOC(=O)CCC1CCCN(CCCN2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.52
CHRM2 P08172 7/20 0.48
CHRM4 P08173 7/20 0.48
CHRM5 P08912 7/20 0.48
CHRM1 P11229 7/20 0.48
CHRM3 P20309 7/20 0.48
DRD2 P14416 7/20 0.48
DRD4 P21917 7/20 0.48
DRD3 P35462 7/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
NOTUM Q6P988 1/20 0.46

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
SCHEMBL6964631 0.90 SLC6A1 (0.53) SLC6A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8172344 0.88 CHRM1 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7608441 0.86 SLC6A1 (0.57) SLC6A1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8180665 0.85 SLC6A1 (0.56) SLC6A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8196471 0.84 SLC6A1 (0.63) SLC6A1DRD2
SCHEMBL8196728 0.84 SLC6A1 (0.63) SLC6A1DRD2
SCHEMBL8199176 0.82 SLC6A1 (0.63) SLC6A1DRD2
SCHEMBL8187340 0.81 SLC6A1 (0.59) SLC6A1DRD2
SCHEMBL6968776 0.80 CHRM1 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5495902 0.79 SLC6A1 (0.59) SLC6A1CHRM2CHRM4CHRM5CHRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114354-A N-substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2000-09-05 US disclosed
US-6100253-A 3-(1-(3-(XANTHEN-9-YLIDENE)-1-PROPYL)PIPERIDIN-4-YL)PROPIONIC ACID, FOR EXAMPLE; TREATING NON-INSULIN DEPENDENT DIABETES, NEUROGENIC INFLAMMATION AND OBESITY; INTERFERE WITH C-FIBERS TO INHIBIT SECRETION OF INSULIN ANTAGONISING PEPTIDES NOVO NORDISK A/S (DK) 2000-08-08 US disclosed
US-6066632-A ANALGESICS; ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-05-23 US disclosed
EP-0991621-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP disclosed
US-6040318-A TREATING INSULIN RESISTANT NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY, NEUROGENIC INFLAMMATION ASSOCIATED WITH NEUROPATHY OR RHEUMATOID ARTHRITIS NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
WO-1999000367-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO disclosed