SCHEMBL6880139

SCHEMBL6880139

CCOC(=O)[C@@H]1[C@@H](O)[C@H](C)CN1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
POLB P06746 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
AGTR2 P50052 1/20 0.43
ELANE P08246 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL16256993 0.88 AGTR2 (0.51) HTR2CPOLBPDK1PDK2PDK3
SCHEMBL16648040 0.86 HTR2C (0.46) HTR2CPOLBPDK1PDK2PDK3
SCHEMBL16635923 0.86 HTR2C (0.46) HTR2CPOLBPDK1PDK2PDK3
SCHEMBL15701442 0.83 HTR2C (0.44) HTR2CPOLBAGTR2ELANETSHR
SCHEMBL12011239 0.83 HTR2C (0.44) HTR2CPOLBAGTR2ELANETSHR
SCHEMBL13318714 0.83 HTR2C (0.44) HTR2CPOLBAGTR2ELANETSHR
SCHEMBL18286548 0.82 POLB (0.45) HTR2CPOLBPDK1PDK2PDK3
SCHEMBL16648015 0.82 HTR2C (0.45) HTR2CPOLBPDK1PDK2PDK3
SCHEMBL38660463 0.82 ELANE (0.50) HTR2CELANETSHRL3MBTL1KDM4E
SCHEMBL6882618 0.82 ELANE (0.50) HTR2CELANETSHRL3MBTL1KDM4E

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