SCHEMBL3388069

SCHEMBL3388069

NC(=O)C1CCCCN1CCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.38
KCNK3 O14649 1/20 0.38
POLB P06746 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
SCN3A Q9NY46 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33
SLC6A1 P30531 1/20 0.33

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
SCHEMBL25833199 1.00 HTT (0.44) HTTLMNAKCNK3POLBSPHK1
SCHEMBL3740451 0.94 HTT (0.49) HTTLMNAKCNK3POLBSPHK1
SCHEMBL3276057 0.94 HTT (0.49) HTTLMNAKCNK3POLBSPHK1
SCHEMBL5216741 0.94 HTT (0.49) HTTLMNAKCNK3POLBSPHK1
SCHEMBL2563563 0.85 LMNA (0.38) HTTLMNAKCNK3POLBSPHK1
SCHEMBL16106745 0.84 HTT (0.40) HTTLMNAPOLBSPHK1SMN1; SMN2
SCHEMBL3969870 0.84 LMNA (0.52) HTTLMNAKCNK3POLBSPHK1
SCHEMBL1466679 0.84 HTT (0.40) HTTLMNAPOLBSPHK1SMN1; SMN2
SCHEMBL20143218 0.84 LMNA (0.52) HTTLMNAKCNK3POLBSPHK1
SCHEMBL1466682 0.84 HTT (0.40) HTTLMNAPOLBSPHK1SMN1; SMN2

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-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO disclosed