SCHEMBL5764458

SCHEMBL5764458

COC[C@@H](O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 7/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
EPHX1 P07099 1/20 0.40
MALT1 Q9UDY8 1/20 0.38
IDO1 P14902 1/20 0.38
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5019057 0.88 MEN1 (0.61) MEN1GAAKMT2ATDP1CA12
SCHEMBL16285824 0.84 MEN1 (0.50) MEN1GAAKMT2ATDP1CA12
SCHEMBL23637197 0.83 MEN1 (0.53) MEN1GAAKMT2ATDP1CA12
SCHEMBL18897496 0.83 MEN1 (0.53) MEN1GAAKMT2ATDP1CA12
SCHEMBL751969 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12
SCHEMBL22433494 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12
SCHEMBL17452213 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12
SCHEMBL23690865 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12
SCHEMBL17490773 0.83 MEN1 (0.44) MEN1GAAKMT2ATDP1CA12
SCHEMBL8194926 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 WO disclosed