SCHEMBL7411728

SCHEMBL7411728

CCOC(=O)[C@@H]1CCCN(CCO/N=C(\C2=CCCC2)c2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL7411730 1.00 KDM4E (0.55) KDM4EALDH1A1
SCHEMBL7926211 0.91 KDM4E (0.62) KDM4EALDH1A1
SCHEMBL7926218 0.91 KDM4E (0.62) KDM4EALDH1A1
SCHEMBL8865713 0.83 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL8865703 0.83 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL8865708 0.83 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL7422585 0.81 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL7423916 0.81 ALDH1A1 (0.63) KDM4EALDH1A1
SCHEMBL7422590 0.81 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL7423920 0.81 ALDH1A1 (0.63) KDM4EALDH1A1

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