SCHEMBL9050644

SCHEMBL9050644

O=C(CC1=Cc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCC[C@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.47
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 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 3/20 0.32
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SLC8A1 P32418 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 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
SCHEMBL9047689 0.92 PREP (0.42) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9048205 0.91 PREP (0.41) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9049500 0.90 PREP (0.41) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL7292862 0.88 PREP (0.47) PREPACHEHTR1AHTR2AHTR7
SCHEMBL9050035 0.86 PREP (0.46) PREP
SCHEMBL9048506 0.85 CHRM2 (0.39) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9050376 0.84 PREP (0.44) PREPACHE
SCHEMBL7301278 0.84 PREP (0.53) PREPACHEHTR1AHTR2AHTR7
SCHEMBL9048985 0.84 PREP (0.44) PREPACHE
SCHEMBL9049755 0.82 PREP (0.43) PREPACHE

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