SCHEMBL9734306

SCHEMBL9734306

COC(=O)C1CC(=O)C=CN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
MITF O75030 1/20 0.56
MAPT P10636 1/20 0.56
FKBP1A P62942 4/20 0.45
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR2C P28335 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PREP P48147 2/20 0.42

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
SCHEMBL8658861 0.83 HTR2C (0.53) HTTMITFMAPTPSEN1PSEN2
SCHEMBL757756 0.83 HTR2C (0.53) HTTMITFMAPTPSEN1PSEN2
SCHEMBL21326091 0.81 PSEN1 (0.46) HTTMITFMAPTPSEN1PSEN2
SCHEMBL3076603 0.81 PSEN1 (0.46) HTTMITFMAPTPSEN1PSEN2
SCHEMBL13634009 0.80 PSEN1 (0.46) HTTMITFMAPTPSEN1PSEN2
SCHEMBL3950322 0.79 PSEN1 (0.53) HTTMITFMAPTPSEN1PSEN2
SCHEMBL3159251 0.79 P2RX7 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20449200 0.79 P2RX7 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31462845 0.79 MAPT (0.47) HTTMITFMAPTPSEN1PSEN2
SCHEMBL2300448 0.78 POLB (0.52) HTTMITFMAPTFKBP1APSEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114945-A Spiropiperidine derivatives GLAXO GROUP LIMITED (GB) 1992-05-19 US disclosed
EP-0330461-A2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 EP disclosed