SCHEMBL2226628

SCHEMBL2226628

C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]1CN2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ABCB1 P08183 1/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
STS P08842 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL2226624 1.00 MAPT (0.45) MAPTPDK1PDK2PDK3PDK4
SCHEMBL651151 0.83 STS (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL30071078 0.83 STS (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL929751 0.83 STS (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL31246051 0.82 PDK1 (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL30723469 0.82 MAPT (0.44) MAPTPDK1PDK2PDK3PDK4
SCHEMBL30723442 0.82 MAPT (0.44) MAPTPDK1PDK2PDK3PDK4
SCHEMBL30723461 0.81 PDK1 (0.41) MAPTPDK1PDK2PDK3PDK4
SCHEMBL29344029 0.80 AGTR2 (0.44) MAPTABCB1KMT2AL3MBTL1GPR119
SCHEMBL30723486 0.80 ABCB1 (0.41) PDK1PDK2PDK3PDK4ABCB1

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
WO-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed