SCHEMBL9051265

SCHEMBL9051265

CCOC(OCC)[C@@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.52
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 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
SCHEMBL9049988 0.91 PREP (0.61) PREPALDH1A1RAB9AHPGDNPC1
SCHEMBL9049764 0.89 PREP (0.48) PREPALDH1A1RAB9AHPGDNPC1
SCHEMBL9049756 0.89 PREP (0.48) PREPALDH1A1RAB9AHPGDNPC1
SCHEMBL9046577 0.87 PREP (0.61) PREPALDH1A1RAB9ALMNA
SCHEMBL9049839 0.85 PREP (0.52) PREPALDH1A1HPGDSMN1; SMN2HRH3
SCHEMBL9046433 0.79 PREP (0.46) PREPALDH1A1RAB9AHPGDNPC1
SCHEMBL9046426 0.79 PREP (0.46) PREPALDH1A1RAB9AHPGDNPC1
SCHEMBL9046248 0.79 PREP (0.57) PREPALDH1A1RAB9AHPGDNPC1
SCHEMBL9046256 0.79 PREP (0.57) PREPALDH1A1RAB9AHPGDNPC1
SCHEMBL9049975 0.78 PREP (0.62) PREPSMN1; SMN2LMNA

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