SCHEMBL2852677

SCHEMBL2852677

CC1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NS(C)(=O)=O)cc2-c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.62
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
PSEN1 P49768 1/20 0.62
PSEN2 P49810 1/20 0.62
APH1B Q8WW43 1/20 0.62
NCSTN Q92542 1/20 0.62
APH1A Q96BI3 1/20 0.62
PSENEN Q9NZ42 1/20 0.62
SCN9A Q15858 13/20 0.50
SCN5A Q14524 7/20 0.50
KLRK1 P26718 1/20 0.44
MICA Q29983 1/20 0.44
RAET1L Q5VY80 1/20 0.44
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTPN1 P18031 1/20 0.38
MCHR1 Q99705 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2850142 0.86 KCNH2 (0.72) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2879099 0.85 KCNH2 (0.66) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2878421 0.84 KCNH2 (0.77) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846637 0.79 KCNH2 (0.64) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL24913685 0.76 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847511 0.76 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846664 0.76 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2844065 0.76 KCNH2 (0.82) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2844400 0.75 KCNH2 (0.72) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2844075 0.74 KCNH2 (0.58) 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 2 patents. 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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed