SCHEMBL9048411

SCHEMBL9048411

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 16/20 0.46
GBA1 P04062 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL9046480 1.00 PREP (0.46) PREPGBA1CHRM2CHRM4CHRM1
SCHEMBL9046582 0.96 PREP (0.44) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9048594 0.95 PREP (0.48) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9049675 0.95 PREP (0.48) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9048219 0.93 PREP (0.43) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9049491 0.90 PREP (0.45) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9051123 0.90 PREP (0.57) PREP
SCHEMBL9047444 0.90 PREP (0.57) PREP
SCHEMBL7303715 0.88 PREP (0.55) PREP
SCHEMBL7431683 0.85 PREP (0.54) 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