SCHEMBL9047631

SCHEMBL9047631

O=C[C@H]1NCC(=S)C1C(=O)[C@H]1NCC(=S)C1C(=O)CCC[C@H]1CCc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PREP P48147 4/20 0.32
NPY1R P25929 1/20 0.31
NPY5R Q15761 1/20 0.31

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
SCHEMBL9049992 1.00 GBA1 (0.39) GBA1ADRA1DADRA1AADRA1BPREP
SCHEMBL9047368 0.96 GBA1 (0.42) GBA1ADRA1DADRA1AADRA1BPREP
SCHEMBL9049832 0.94 GBA1 (0.36) GBA1ADRA1DADRA1AADRA1BPREP
SCHEMBL9049068 0.94 GBA1 (0.36) GBA1ADRA1DADRA1AADRA1BPREP
SCHEMBL9049231 0.93 PREP (0.32) PREP
SCHEMBL9047437 0.90 GBA1 (0.32) GBA1
SCHEMBL9049080 0.89 PREP (0.36) GBA1ADRA1DADRA1AADRA1BPREP
SCHEMBL8155778 0.89 PREP (0.36) GBA1ADRA1DADRA1AADRA1BPREP
SCHEMBL9049913 0.87 PREP (0.30) PREP
SCHEMBL7291285 0.84

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-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed