SCHEMBL9050262

SCHEMBL9050262

CCOC(OCC)[C@@H]1CCCN1C(=O)[C@H]1NCC(=S)C1C(=O)[C@H]1CCc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
PREP P48147 10/20 0.35
GHSR Q92847 1/20 0.32
IDH1 O75874 2/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
BCHE P06276 1/20 0.30
FAAH O00519 2/20 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
SCHEMBL9172981 1.00 F2 (0.35) F2PREPGHSRIDH1EPHX2
SCHEMBL9049953 0.96 PREP (0.36) F2PREPALDH1A1HPGDKMT2A
SCHEMBL9047912 0.91 PREP (0.42) F2PREPIDH1FAAH
SCHEMBL9051167 0.91 PREP (0.42) F2PREPIDH1FAAH
SCHEMBL9049530 0.87 PREP (0.41) PREP
SCHEMBL9051862 0.87 PREP (0.41) PREP
SCHEMBL9049513 0.87 PREP (0.37) PREPGHSRIDH1EPHX2
SCHEMBL9049610 0.87 PREP (0.37) PREPGHSRIDH1EPHX2
SCHEMBL9049512 0.86 PREP (0.43) F2PREPALDH1A1
SCHEMBL9048329 0.85 PREP (0.39) PREPBCHE

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