SCHEMBL9528633

SCHEMBL9528633

CCOC(=O)C1CCCN(CC/C=C(\c2ccncc2)c2ccccc2C)C1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 15/20 0.69

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
SCHEMBL9528639 1.00 SLC6A1 (0.69) SLC6A1
SCHEMBL9529431 0.91 SLC6A1 (0.66) SLC6A1
SCHEMBL9529427 0.91 SLC6A1 (0.66) SLC6A1
SCHEMBL9526327 0.89 SLC6A1 (0.87) SLC6A1
SCHEMBL9526330 0.89 SLC6A1 (0.87) SLC6A1
SCHEMBL10964291 0.85 SLC6A1 (0.73) SLC6A1
SCHEMBL10407400 0.84 SLC6A1 (0.64) SLC6A1
SCHEMBL10407018 0.84 SLC6A1 (0.64) SLC6A1
SCHEMBL9525893 0.83 SLC6A1 (0.66) SLC6A1
SCHEMBL9525900 0.83 SLC6A1 (0.66) SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231996-B1 NOVEL AMINO ACID DERIVATIVES NOVO NORDISK A/S (DK) 1993-10-06 EP disclosed
EP-0231996-A2 Novel amino acid derivatives NOVO NORDISK A/S (DK) 1987-08-12 EP disclosed