SCHEMBL5233135

SCHEMBL5233135

O=C(COCC1CCCN(C(=O)OCc2ccccc2)C1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
GRM5 P41594 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.44
LCK P06239 1/20 0.43
FKBP1A P62942 1/20 0.43
CTSS P25774 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PREP P48147 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
PDE4B Q07343 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL5237415 0.86 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL5239237 0.85 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL31739572 0.83 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL30793617 0.81 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL5237806 0.81 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL1320424 0.80 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL3272711 0.80 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL3277927 0.80 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL7301326 0.80 HTT (0.48) SMN1; SMN2RAB9ANPC1CHRNB2CHRNA4
SCHEMBL13208750 0.80 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed