SCHEMBL8199176

SCHEMBL8199176

CCOC(=O)C1CCCN(CCCCN2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.63
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 3/20 0.60
HTR7 P34969 2/20 0.57
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL8196471 0.98 SLC6A1 (0.63) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL8196728 0.98 SLC6A1 (0.63) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL8187340 0.95 SLC6A1 (0.59) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL9082744 0.94 SLC6A1 (0.70) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL8195646 0.94 SLC6A1 (0.62) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL9078916 0.94 SLC6A1 (0.62) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL8859089 0.92 SLC6A1 (0.76) SLC6A1ALDH1A1KDM4E
SCHEMBL8196738 0.90 KDM4E (0.55) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL8196291 0.89 TSHR (0.54) SLC6A1ALDH1A1KDM4EHTR7HTR1A
SCHEMBL9085347 0.89 SLC6A1 (0.71) SLC6A1ALDH1A1KDM4E

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
EP-0738262-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2000-04-19 EP disclosed
US-6043239-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF THE N-SUBSTITUENT; TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 US disclosed
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 US disclosed
EP-0738262-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-23 EP disclosed
WO-1995018793-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1995-07-13 WO disclosed