SCHEMBL9051072

SCHEMBL9051072

O=C([C@@H]1CCCN1C(=O)c1cc2ccccc2o1)N1CSC[C@H]1C=NO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PREP P48147 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH4 Q9H3N8 1/20 0.40
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN2B Q13224 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9051077 1.00 POLB (0.44) POLBMAPTPREPALDH1A1HPGD
SCHEMBL9049856 0.89 POLB (0.48) POLBMAPTPREPALDH1A1HPGD
SCHEMBL9049850 0.89 POLB (0.48) POLBMAPTPREPALDH1A1HPGD
SCHEMBL9050274 0.85 PREP (0.65) PREP
SCHEMBL9050265 0.85 PREP (0.65) PREP
SCHEMBL9046528 0.83 PREP (0.55) PREP
SCHEMBL9046539 0.83 PREP (0.55) PREP
SCHEMBL9046433 0.83 PREP (0.46) POLBMAPTPREPALDH1A1HPGD
SCHEMBL9046426 0.83 PREP (0.46) POLBMAPTPREPALDH1A1HPGD
SCHEMBL9048530 0.80 PREP (0.52) POLBMAPTPREPALDH1A1HPGD

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