SCHEMBL9049608

SCHEMBL9049608

O=C(C1CCN[C@@H]1C(O)=S)[C@@H]1CCCN1C(=O)c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH4 Q9H3N8 1/20 0.40
PREP P48147 1/20 0.40
GRIN2B Q13224 1/20 0.40
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9051648 0.84 PREP (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2PREP
SCHEMBL9048816 0.84 POLB (0.46) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL9049063 0.83 PREP (0.52) L3MBTL1RAB9ANPC1PREPHRH3
SCHEMBL9049484 0.82 PREP (0.48) RAB9ANPC1PREPHRH3
SCHEMBL9046320 0.81 PREP (0.47) PREPHRH3
SCHEMBL5092539 0.79 MAPT (0.59) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL9169299 0.75 MAPT (0.44) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL9046667 0.74 RAB9A (0.36) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL9045731 0.74 PREP (0.39) ALDH1A1SMN1; SMN2PREPTSHR
SCHEMBL9049902 0.72 F2 (0.48) 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