SCHEMBL9664987

SCHEMBL9664987

CN1CC(=O)N[C@H](Cc2c[nH]cn2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.35
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GAA P10253 1/20 0.32
OPRK1 P41145 2/20 0.31
CRBN Q96SW2 1/20 0.30

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
SCHEMBL9666955 0.79 GAA (0.35) GAAOPRK1CRBN
SCHEMBL12408252 0.79 RIPK1 (0.42) GAA
SCHEMBL4284897 0.77 HDAC6 (0.54) GAAOPRK1CRBN
SCHEMBL9478999 0.74
SCHEMBL9666883 0.74
SCHEMBL25456037 0.74 HRH3 (0.43) GHSR
SCHEMBL10515887 0.74 HRH3 (0.43) GHSR
SCHEMBL14952797 0.72 SMN1; SMN2 (0.60)
SCHEMBL9479972 0.72 SMN1; SMN2 (0.60)
SCHEMBL2039884 0.72 SMN1; SMN2 (0.60)

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-0132392-B1 ASYMMETRIC SYNTHESIS OF ALPHA-SUBSTITUTED-ALPHA-CYANOMETHYL ALCOHOLS ICI AUSTRALIA LIMITED (AU) 1992-01-02 EP disclosed
EP-0304954-A2 Cyclic dipeptide enantiomers ICI AUSTRALIA LIMITED (AU) 1989-03-01 EP disclosed
EP-0132392-A2 Asymmetric synthesis of alpha-substituted-alpha-cyanomethyl alcohols ICI AUSTRALIA LIMITED (AU) 1985-01-30 EP disclosed