SCHEMBL9050498

SCHEMBL9050498

O=C(C1CCN[C@@H]1C(O)=S)[C@@H]1CCCN1C(=O)CCC1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 13/20 0.44
CHRM3 P20309 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
DPP4 P27487 1/20 0.38
F2 P00734 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL9050181 0.95 PREP (0.47) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL9046377 0.95 PREP (0.47) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL9049455 0.94 PREP (0.45) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL9048117 0.94 PREP (0.42) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL8153384 0.90 PREP (0.56) PREP
SCHEMBL9050209 0.90 PREP (0.46) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL9049198 0.90 PREP (0.46) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL9048984 0.88 PREP (0.58) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL9047793 0.88 PREP (0.58) PREPCHRM3CHRM2CHRM4CHRM1
SCHEMBL7434234 0.86 CPT2 (0.38) PREP

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