SCHEMBL8744100

SCHEMBL8744100

CN1C(=O)C[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 16/20 0.52
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL6778353 0.86 HSD17B2 (0.56) HSD17B2SIGMAR1
SCHEMBL6778355 0.86 HSD17B2 (0.56) HSD17B2SIGMAR1
SCHEMBL8744053 0.81 HSD17B2 (0.51) HSD17B2
SCHEMBL6992826 0.78 HSD17B2 (0.60) HSD17B2
SCHEMBL6767884 0.78 HSD17B2 (0.60) HSD17B2
SCHEMBL6768953 0.77 MEN1 (0.48) HSD17B2
SCHEMBL6768951 0.77 MEN1 (0.48) HSD17B2
SCHEMBL6771119 0.76 HSD17B2 (0.45) HSD17B2
SCHEMBL9680139 0.72 EPHX1 (0.41)
SCHEMBL7140657 0.72 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 3 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
EP-0246534-A2 Optically pure 4,5-disubstituted gamma-butyrolactame enantiomers, process for their preparation and their use BAYER AG (DE) 1987-11-25 EP disclosed