SCHEMBL9049513

SCHEMBL9049513

CCOC(OCC)[C@@H]1CSCN1C(=O)[C@H]1NCC(=S)C1C(=O)[C@H]1CCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 11/20 0.37
GHSR Q92847 1/20 0.31
FFAR1 O14842 2/20 0.30
IDH1 O75874 2/20 0.30
EPHX2 P34913 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
SCHEMBL9049610 1.00 PREP (0.37) PREPGHSRFFAR1IDH1EPHX2
SCHEMBL9049825 0.95 PREP (0.39) PREPFFAR1
SCHEMBL9049715 0.91 PREP (0.44) PREPIDH1
SCHEMBL9047677 0.91 PREP (0.44) PREPIDH1
SCHEMBL9048108 0.87 PREP (0.42) PREP
SCHEMBL9048958 0.87 PREP (0.42) PREP
SCHEMBL9172981 0.87 F2 (0.35) PREPGHSRIDH1EPHX2
SCHEMBL9050262 0.87 F2 (0.35) PREPGHSRIDH1EPHX2
SCHEMBL9047884 0.86 PREP (0.37) PREPFFAR1
SCHEMBL9049871 0.86 PREP (0.37) PREPFFAR1

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