SCHEMBL4610845

SCHEMBL4610845

CC(C)N(NC[C@@H](C)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL15819993 0.71 CTSS (0.35) MEN1KMT2A
SCHEMBL12068002 0.69
SCHEMBL7077560 0.67 MEN1 (0.31) MEN1KMT2ATP53
SCHEMBL6417020 0.67
SCHEMBL11651640 0.67 POLB (0.33) MEN1KMT2ATP53
SCHEMBL8733232 0.67 POLB (0.33) CYP2D6CYP2C19MEN1KMT2ATP53
SCHEMBL1903527 0.66
Diisopropanolamine SCHEMBL29053431 0.66 CYP2D6 (0.42) CYP2D6CYP2C19MEN1KMT2ATP53
SCHEMBL3115481 0.64
SCHEMBL1982391 0.64

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-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO disclosed