SCHEMBL13627729

SCHEMBL13627729

CNC(=O)c1ccc(CN2CCOCC2)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
HRH3 Q9Y5N1 1/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 5/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
PRKD3 O94806 1/20 0.46
HPGD P15428 1/20 0.46
PRKD1 Q15139 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL21213964 0.86 ALDH1A1 (0.61) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL1286688 0.84 HTT (0.75) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL1243301 0.82 HTT (1.00) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL25062750 0.81 HTT (0.71) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL4136038 0.81 HTT (0.75) HTTHRH3KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL3500894 0.81 HTT (0.97) HTTHRH3KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL3500984 0.79 HTT (0.73) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL5095146 0.79 KMT2A (0.67) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL3501938 0.78 HTT (0.66) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL25062318 0.76 HTT (0.63) HTTHRH3KDM4EGAAALDH1A1

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-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed