SCHEMBL8744053

SCHEMBL8744053

COC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)N1C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.51
SLC6A3 Q01959 9/20 0.50
SLC6A4 P31645 7/20 0.50
SLC6A2 P23975 6/20 0.50

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
SCHEMBL6768953 0.85 MEN1 (0.48) HSD17B2
SCHEMBL6768951 0.85 MEN1 (0.48) HSD17B2
SCHEMBL6778355 0.84 HSD17B2 (0.56) HSD17B2
SCHEMBL6778353 0.84 HSD17B2 (0.56) HSD17B2
SCHEMBL8744100 0.81 HSD17B2 (0.52) HSD17B2
SCHEMBL10686321 0.78 CA1 (0.57) HSD17B2SLC6A3SLC6A4SLC6A2
SCHEMBL8744078 0.74 HSD17B2 (0.58) HSD17B2
SCHEMBL6767810 0.74 HSD17B2 (0.58) HSD17B2
SCHEMBL7140657 0.74 HSD17B2 (0.58) HSD17B2
SCHEMBL6767812 0.74 HSD17B2 (0.58) HSD17B2

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-0246534-B1 Optically pure 4,5-disubstituted gamma-butyrolactame enantiomers, process for their preparation and their use BAYER AG (DE) 1997-01-15 EP disclosed
US-4847287-A Pure enantiomers of 4,5-disubstituted gamma-butyrolactams, and their use as antiamnestic agents BAYER AG (DE) 1989-07-11 US disclosed