SCHEMBL13747445

SCHEMBL13747445

CCOC(=O)N1CC[C@H](N)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD11B1 P28845 8/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSK P43235 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PDE4B Q07343 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL208443 0.88 HSD11B1 (0.46) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL208362 0.86 HSD11B1 (0.40) MEN1KMT2AALDH1A1TSHRHSD11B1
SCHEMBL14911483 0.84 PDE4B (0.56) KMT2AHSD11B1CYP2C9L3MBTL1PDE4B
SCHEMBL16164661 0.84 PDE4B (0.56) KMT2AHSD11B1CYP2C9L3MBTL1PDE4B
SCHEMBL15081499 0.84 CTSK (0.43) MEN1KMT2AALDH1A1TSHRHSD11B1
SCHEMBL16170288 0.84 CTSK (0.43) MEN1KMT2AALDH1A1TSHRHSD11B1
SCHEMBL14908812 0.84 CTSK (0.43) MEN1KMT2AALDH1A1TSHRHSD11B1
SCHEMBL207555 0.84 CTSK (0.43) MEN1KMT2AALDH1A1TSHRHSD11B1
SCHEMBL32684148 0.84 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRHSD11B1
SCHEMBL30738868 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRHSD11B1

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
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed