SCHEMBL9049004

SCHEMBL9049004

O=C(CCCC[C@H]1CCc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCC[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
PREP P48147 13/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC8A1 P32418 1/20 0.33

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
SCHEMBL9171673 1.00 GBA1 (0.40) GBA1PREPCHRM2CHRM4CHRM1
SCHEMBL9049657 0.97 PREP (0.39) GBA1PREPCHRM2CHRM4CHRM1
SCHEMBL9049419 0.97 PREP (0.39) GBA1PREPCHRM2CHRM4CHRM1
SCHEMBL9048850 0.95 CHRM2 (0.37) GBA1PREPCHRM2CHRM4CHRM1
SCHEMBL9050170 0.94 PREP (0.40) GBA1PREPCHRM2CHRM4CHRM1
SCHEMBL9048872 0.93 PREP (0.38) GBA1PREPCHRM2CHRM4CHRM1
SCHEMBL9049834 0.89 CHRM2 (0.39) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL8161220 0.89 PREP (0.46) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9047373 0.89 PREP (0.46) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL7297328 0.89 PREP (0.46) PREPCHRM2CHRM4CHRM1CHRM3

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