SCHEMBL9048530

SCHEMBL9048530

O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH4 Q9H3N8 1/20 0.46
GRIN2B Q13224 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL9049856 0.89 POLB (0.48) PREPPOLBMAPTALDH1A1HPGD
SCHEMBL9049850 0.89 POLB (0.48) PREPPOLBMAPTALDH1A1HPGD
SCHEMBL9048099 0.85 PREP (0.52) PREPPOLBMAPTALDH1A1HPGD
SCHEMBL9048765 0.83 PREP (0.76) PREP
SCHEMBL5092539 0.83 MAPT (0.59) PREPPOLBMAPTALDH1A1HPGD
SCHEMBL9045852 0.83 PREP (0.53) PREPPOLBMAPTALDH1A1HPGD
SCHEMBL9045858 0.83 PREP (0.53) PREPPOLBMAPTALDH1A1HPGD
SCHEMBL9050374 0.81 PREP (0.64) PREP
SCHEMBL9051072 0.80 POLB (0.44) PREPPOLBMAPTALDH1A1HPGD
SCHEMBL9051077 0.80 POLB (0.44) PREPPOLBMAPTALDH1A1HPGD

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