SCHEMBL8196291

SCHEMBL8196291

CCOC(=O)C1CCCN(CCCN2c3ccccc3CCc3ccc(OC)cc32)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A1 P30531 1/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HTR7 P34969 2/20 0.49
DRD2 P14416 2/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM1 P11229 1/20 0.49
POLB P06746 1/20 0.49
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 0.91 SLC6A1 (0.63) MAPK1SLC6A1ALDH1A1KDM4EHTR7
SCHEMBL8196728 0.91 SLC6A1 (0.63) MAPK1SLC6A1ALDH1A1KDM4EHTR7
SCHEMBL8889684 0.89 SLC6A1 (0.68) SLC6A1DRD2MEN1KMT2ACHRM1
SCHEMBL8199176 0.89 SLC6A1 (0.63) MAPK1SLC6A1ALDH1A1KDM4EHTR7
SCHEMBL8196738 0.89 KDM4E (0.55) SLC6A1ALDH1A1KDM4EHTR7DRD2
Hydrochloric Acid SCHEMBL8885356 0.89 SLC6A1 (0.67) SLC6A1DRD2MEN1KMT2ACHRM1
Hydrochloric Acid SCHEMBL8908790 0.89 SLC6A1 (0.67) SLC6A1DRD2MEN1KMT2ACHRM1
SCHEMBL8187340 0.88 SLC6A1 (0.59) MAPK1SLC6A1ALDH1A1KDM4EHTR7
SCHEMBL9082744 0.86 SLC6A1 (0.70) SLC6A1ALDH1A1KDM4EHTR7DRD2
SCHEMBL8195646 0.85 SLC6A1 (0.62) MAPK1SLC6A1ALDH1A1KDM4EHTR7

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
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
EP-0869777-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 US disclosed
WO-1997022338-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO 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