SCHEMBL9049902

SCHEMBL9049902

O=C(C1CCN[C@@H]1C(O)=S)[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PREP P48147 13/20 0.39
IDH1 O75874 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL9048049 1.00 F2 (0.48) F2PREPIDH1MEN1KMT2A
SCHEMBL7302738 0.84 F2 (0.45) F2PREPACE
SCHEMBL9047793 0.83 PREP (0.58) PREP
SCHEMBL9048984 0.83 PREP (0.58) PREP
SCHEMBL8153384 0.82 PREP (0.56) PREP
SCHEMBL9050181 0.82 PREP (0.47) F2PREP
SCHEMBL9046377 0.82 PREP (0.47) F2PREP
SCHEMBL7303204 0.82 ALDH1A1 (0.33) F2MEN1KMT2A
SCHEMBL9050209 0.81 PREP (0.46) F2PREP
SCHEMBL9049198 0.81 PREP (0.46) F2PREP

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