SCHEMBL7411733

SCHEMBL7411733

CCOC(=O)C1CCCN(CCON=Cc2ccccc2C2=CCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL8865736 0.86 MAPT (0.58) ALDH1A1MAPTL3MBTL1KDM4EHTR7
Hydrochloric Acid SCHEMBL8865743 0.86 MAPT (0.58) ALDH1A1MAPTL3MBTL1KDM4EHTR7
Hydrochloric Acid SCHEMBL8865722 0.86 MAPT (0.58) ALDH1A1MAPTL3MBTL1KDM4EHTR7
SCHEMBL8865729 0.85 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KDM4EHTR7
SCHEMBL7411728 0.76 KDM4E (0.55) ALDH1A1KDM4E
SCHEMBL7411730 0.76 KDM4E (0.55) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7419244 0.76
Hydrochloric Acid SCHEMBL7419255 0.76
Hydrochloric Acid SCHEMBL7419250 0.76
SCHEMBL8885057 0.75 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KDM4EHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5608069-A TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID NOVO NORDISK A/S (DK) 1997-03-04 US disclosed
EP-0705246-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP disclosed
WO-1995000483-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 WO disclosed