SCHEMBL7304791

SCHEMBL7304791

CC(C)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.58
POLB P06746 1/20 0.55
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 3/20 0.52
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SCN5A Q14524 1/20 0.48
SCN3A Q9NY46 1/20 0.48
HSD17B10 Q99714 2/20 0.48
HDAC8 Q9BY41 1/20 0.47
RAB9A P51151 1/20 0.44
SCN4A P35499 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2389879 1.00 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL6554333 0.86 SMN1; SMN2 (0.53) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL24648736 0.86 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL15244828 0.86 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL4994907 0.86 SMN1; SMN2 (0.63) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL20061874 0.85 SMN1; SMN2 (0.57) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL5873415 0.85 SMN1; SMN2 (0.62) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL31421469 0.85 SMN1; SMN2 (0.62) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL5873425 0.85 SMN1; SMN2 (0.62) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL12966021 0.85 SMN1; SMN2 (0.62) SMN1; SMN2KMT2APOLBALDH1A1MEN1

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed