SCHEMBL5803382

SCHEMBL5803382

NC(=O)C1CCN(CCN2CCCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
HRH3 Q9Y5N1 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
BCHE P06276 1/20 0.45
LTA4H P09960 1/20 0.43

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
SCHEMBL10064192 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HRH3L3MBTL1ALDH1A1GAA
SCHEMBL5878419 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HRH3L3MBTL1ALDH1A1GAA
SCHEMBL27748790 0.80 ALDH1A1 (0.51) SMN1; SMN2HRH3L3MBTL1ALDH1A1GAA
SCHEMBL17672623 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HRH3L3MBTL1ALDH1A1GAA
SCHEMBL1438742 0.80 SMN1; SMN2 (0.71) SMN1; SMN2L3MBTL1ALDH1A1GAAKDM4E
SCHEMBL14401632 0.79 HRH3 (0.70) HRH3L3MBTL1ALDH1A1GAAKDM4E
SCHEMBL4427286 0.78 SMN1; SMN2 (0.58) SMN1; SMN2HRH3L3MBTL1ALDH1A1GAA
SCHEMBL3966761 0.78 SMN1; SMN2 (0.58) SMN1; SMN2HRH3L3MBTL1ALDH1A1GAA
SCHEMBL4427282 0.78 SMN1; SMN2 (0.58) SMN1; SMN2HRH3L3MBTL1ALDH1A1GAA
SCHEMBL7463625 0.78 L3MBTL1 (0.47) SMN1; SMN2HRH3L3MBTL1ALDH1A1LMNA

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
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO disclosed