SCHEMBL9049455

SCHEMBL9049455

O=C(C1CCN[C@@H]1C(O)=S)[C@@H]1CCCN1C(=O)CCCC1Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 13/20 0.45
DPP4 P27487 2/20 0.41
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL9048117 0.97 PREP (0.42) PREPDPP4HTR1AHTR7CHRM2
SCHEMBL9049198 0.95 PREP (0.46) PREPDPP4HTR1AHTR7CHRM2
SCHEMBL9050209 0.95 PREP (0.46) PREPDPP4HTR1AHTR7CHRM2
SCHEMBL9050498 0.94 PREP (0.44) PREPDPP4HTR1AHTR7CHRM2
SCHEMBL9050181 0.90 PREP (0.47) PREPDPP4CHRM2CHRM4CHRM1
SCHEMBL9046377 0.90 PREP (0.47) PREPDPP4CHRM2CHRM4CHRM1
SCHEMBL8153384 0.89 PREP (0.56) PREP
SCHEMBL9048984 0.86 PREP (0.58) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL9047793 0.86 PREP (0.58) PREPCHRM2CHRM4CHRM1CHRM3
SCHEMBL7440417 0.82 HTR1A (0.34) PREPDPP4HTR1AHTR7

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