SCHEMBL9047261

SCHEMBL9047261

O=C([C@H]1CCCN1C(=O)C1=Cc2ccccc2C1)N1CSC[C@H]1C=NO

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PREP P48147 12/20 0.43
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9047249 1.00 PREP (0.43) PREPALDH1A1TSHR
SCHEMBL9048408 0.89 PREP (0.46) PREPALDH1A1TSHR
SCHEMBL9048406 0.89 PREP (0.46) PREPALDH1A1TSHR
SCHEMBL9046509 0.84 PREP (0.64) PREP
SCHEMBL9046505 0.84 PREP (0.64) PREP
SCHEMBL9049228 0.84 PREP (0.53) PREP
SCHEMBL9049225 0.84 PREP (0.53) PREP
SCHEMBL9046484 0.82 PREP (0.50) PREP
SCHEMBL9046488 0.82 PREP (0.50) PREP
SCHEMBL9049503 0.80 PREP (0.55) PREP

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