SCHEMBL7411698

SCHEMBL7411698

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 1/20 0.59
USP30 Q70CQ3 1/20 0.57
POLB P06746 3/20 0.57
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
UCHL1 P09936 2/20 0.51
ALDH1A1 P00352 2/20 0.50
JAK2 O60674 1/20 0.49
MAPK10 P53779 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PABPC1 P11940 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL28593424 0.90 POLB (0.54) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL28591274 0.87 POLB (0.51) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL12230387 0.85 NPC1 (0.60) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL1734180 0.85 NPC1 (0.60) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL13956980 0.84 NPC1 (0.61) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL2525285 0.83 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL2389717 0.83 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL18591288 0.83 LMNA (0.61) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL29841015 0.83 LMNA (0.61) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL28714099 0.83 LMNA (0.61) NPC1MEN1KMT2ANPSR1LMNA

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
WO-2007106670-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2007-09-20 WO disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed