SCHEMBL7804117

SCHEMBL7804117

C=C(OC)C(C)c1ccc(C(c2ccc(F)cc2)N2CCC(C)CC2)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TRPV1 Q8NER1 6/20 0.34
KDM4D Q6B0I6 1/20 0.34
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL2846657 0.90 KCNH2 (0.54) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2841600 0.82 KCNH2 (0.51) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847499 0.81 KCNH2 (0.53) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL7804800 0.77 KCNH2 (0.37) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847912 0.77 KCNH2 (0.50) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2849631 0.76 KCNH2 (0.42) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847508 0.75 KCNH2 (0.39) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2844057 0.73 KCNH2 (0.61) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846415 0.73 KCNH2 (0.73) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2850061 0.72 KCNH2 (0.55) KCNH2PTGS1PTGS2PSEN1PSEN2

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-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed