SCHEMBL16865194

SCHEMBL16865194

N#CC1(C(=O)N2CCN(C(=O)C3(C#N)CC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
HSD11B1 P28845 2/20 0.33
POLB P06746 1/20 0.32
JAK1 P23458 4/20 0.32
JAK3 P52333 3/20 0.32
JAK2 O60674 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
RORC P51449 1/20 0.31
LTA4H P09960 1/20 0.31
RIPK1 Q13546 1/20 0.30
TYK2 P29597 1/20 0.30
GRM5 P41594 1/20 0.30
ATR Q13535 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
SCHEMBL18231651 0.91 HSD11B1 (0.39) HSD11B1
SCHEMBL20084013 0.90 HSD11B1 (0.32) RETHSD11B1RIPK1
SCHEMBL16838106 0.90 HSD11B1 (0.44) RETHSD11B1ATR
SCHEMBL15076640 0.90 RET (0.32) RETATR
SCHEMBL18855653 0.89 HSD11B1 (0.41) HSD11B1POLB
SCHEMBL31732922 0.86 GAA (0.46) RORC
SCHEMBL25840969 0.86 RET (0.34) RETJAK1JAK3JAK2TLR9
SCHEMBL3555062 0.86 RET (0.32) RETJAK1JAK3JAK2TLR9
SCHEMBL15076722 0.86 HSD11B1 (0.44) HSD11B1POLBTLR9TLR8TLR7
SCHEMBL20315421 0.85 HSD11B1 (0.41) HSD11B1TLR9TLR8TLR7

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
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed