SCHEMBL17848941

SCHEMBL17848941

CC(C)(C)C[SiH2]O[C@H]1CN(C(=O)O)C(c2cc(F)ccc2F)(C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.34
PSEN1 P49768 13/20 0.33
PSEN2 P49810 12/20 0.33
APH1B Q8WW43 12/20 0.33
NCSTN Q92542 12/20 0.33
APH1A Q96BI3 12/20 0.33
PSENEN Q9NZ42 12/20 0.33
AKR1B1 P15121 2/20 0.33
BACE1 P56817 2/20 0.30
APP P05067 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HRH2 P25021 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL17848942 0.80 PSEN1 (0.33) RBP4PSEN1PSEN2APH1BNCSTN
SCHEMBL28469141 0.69 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23070565 0.67 SSTR4 (0.31)
SCHEMBL17353258 0.66 PDE4D (0.40) RBP4
SCHEMBL19423469 0.64 PDE4D (0.41) RBP4
SCHEMBL17920816 0.64 PDE4D (0.41) RBP4
SCHEMBL17353008 0.64 PDE4D (0.41) RBP4
SCHEMBL23070667 0.63 SSTR4 (0.34)
SCHEMBL23070652 0.63 JAK2 (0.33)
SCHEMBL23070668 0.63 JAK2 (0.33)

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
EP-3233863-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2017-10-25 EP disclosed
WO-2016097869-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO., LTD. (KR) 2016-06-23 WO disclosed