SCHEMBL8859050

SCHEMBL8859050

CCOC(=O)[C@@H]1CCCN(CCON=CC2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
HTR7 P34969 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL9085531 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL9086046 0.88 SLC6A1 (0.58)
SCHEMBL9083541 0.88 SLC6A1 (0.58)
Hydrochloric Acid SCHEMBL9404603 0.87 SLC6A1 (0.57)
SCHEMBL8859020 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL9083544 0.80 SLC6A1 (0.43)
SCHEMBL8865729 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL7481643 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL7481631 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL7481633 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHTR7HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997022342-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO disclosed
EP-0585314-B1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK AS (DK) 1996-09-18 EP disclosed
US-5348965-A N-substituted azaheterocyclic carboxylic acids NOVO NORDISK A/S (DK) 1994-09-20 US disclosed
EP-0585314-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS. NOVO NORDISK AS (DK) 1994-03-09 EP disclosed
WO-1992020658-A1 NOVEL HETEROCYCLIC CARBOXYLIC ACIDS NOVO NORDISK A/S (DK) 1992-11-26 WO disclosed