SCHEMBL703220

SCHEMBL703220

CC(N)CNC(=O)OC(C)(C)CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CTSK P43235 4/20 0.34
CTSS P25774 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
SYK P43405 1/20 0.33
SERPINE1 P05121 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32

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
SCHEMBL385838 0.85 MEN1 (0.47) CYP2D6MEN1GAAKMT2ATDP1
SCHEMBL3363685 0.85 MEN1 (0.47) CYP2D6MEN1GAAKMT2ATDP1
SCHEMBL735620 0.85 MEN1 (0.47) CYP2D6MEN1GAAKMT2ATDP1
Hydrochloric Acid SCHEMBL15136639 0.83 MEN1 (0.46) CYP2D6MEN1GAAKMT2ATDP1
Hydrochloric Acid SCHEMBL15649122 0.83 MEN1 (0.46) CYP2D6MEN1GAAKMT2ATDP1
Hydrochloric Acid SCHEMBL17389225 0.83 MEN1 (0.46) CYP2D6MEN1GAAKMT2ATDP1
SCHEMBL8362351 0.74 MEN1 (0.41) CYP2D6MEN1GAAKMT2ATDP1
Butylamine SCHEMBL28495559 0.73 MEN1 (0.41) MEN1GAAKMT2ATDP1CA1
SCHEMBL2748354 0.72 MEN1 (0.49) MEN1GAAKMT2ATDP1CA1
SCHEMBL2723370 0.71 CA1 (0.46) CYP2D6MEN1GAAKMT2ATDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8126554-B2 Implantable medical device with chemical sensor and related methods CARDIAC PACEMAKERS, INC. (US) 2012-02-28 US disclosed