SCHEMBL9048205

SCHEMBL9048205

O=C(CCCC1=Cc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCC[C@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.41
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
ACHE P22303 1/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDK2 Q15119 3/20 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
SCHEMBL9049500 0.97 PREP (0.41) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9047689 0.95 PREP (0.42) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9050644 0.91 PREP (0.47) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9047864 0.88 PREP (0.41) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9049083 0.86 PREP (0.41) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9048506 0.83 CHRM2 (0.39) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9049973 0.83 PREP (0.42) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9048872 0.82 PREP (0.38) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9049657 0.82 PREP (0.39) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9049419 0.82 PREP (0.39) 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