SCHEMBL9049834

SCHEMBL9049834

O=C(CCC1Cc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCC[C@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
PREP P48147 12/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 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
SCHEMBL9050170 0.95 PREP (0.40) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL9048872 0.94 PREP (0.38) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL9048850 0.93 CHRM2 (0.37) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL8161139 0.90 PREP (0.43) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL9049657 0.90 PREP (0.39) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL9049419 0.90 PREP (0.39) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL9171673 0.89 GBA1 (0.40) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL9049004 0.89 GBA1 (0.40) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL8161220 0.88 PREP (0.46) CHRM2CHRM4CHRM1CHRM3PREP
SCHEMBL9047373 0.88 PREP (0.46) CHRM2CHRM4CHRM1CHRM3PREP

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