SCHEMBL14864183

SCHEMBL14864183

COC(=O)Cn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.35
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TACR1 P25103 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.32
BTK Q06187 4/20 0.31
BDKRB1 P46663 1/20 0.31
DHODH Q02127 1/20 0.31
CRHR1 P34998 1/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL732963 0.93 CETP (0.35) CETPTBXA2RPTGDRPTGDR2PSEN1
SCHEMBL700509 0.92 CNR1 (0.35) TBXA2RPTGDRPTGDR2TACR1GPBAR1
SCHEMBL701811 0.92 TRPM2 (0.39) TBXA2RPTGDRPTGDR2PSEN1PSEN2
SCHEMBL701303 0.92 TRPM2 (0.39) TBXA2RPTGDRPTGDR2PSEN1PSEN2
SCHEMBL700510 0.92 CNR1 (0.35) TBXA2RPTGDRPTGDR2TACR1GPBAR1
SCHEMBL700781 0.91 PTGDR2 (0.38) TBXA2RPTGDRPTGDR2PSEN1PSEN2
SCHEMBL700780 0.91 PTGDR2 (0.38) TBXA2RPTGDRPTGDR2PSEN1PSEN2
SCHEMBL701471 0.87 HTR2A (0.33) CETPTBXA2RPTGDRPTGDR2GPBAR1
SCHEMBL701470 0.87 HTR2A (0.33) CETPTBXA2RPTGDRPTGDR2GPBAR1
SCHEMBL700527 0.87 TRPM2 (0.41) TBXA2RPTGDRPTGDR2BTK

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
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed