SCHEMBL3346433

SCHEMBL3346433

CC[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56
KCNK3 O14649 6/20 0.42
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
CHRNA7 P36544 1/20 0.39

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
SCHEMBL3353012 0.84 KCNH2 (0.59) KCNH2
SCHEMBL3415190 0.76 KCNH2 (0.59) KCNH2KCNK3CHRNA7
SCHEMBL3346435 0.76 KCNH2 (0.58) KCNH2
SCHEMBL3348192 0.75 KCNH2 (0.57) KCNH2CHRNA7
SCHEMBL3346321 0.73 KCNH2 (0.77) KCNH2CHRNA7
SCHEMBL3353295 0.72 GPR88 (0.52) KCNH2
SCHEMBL3347928 0.72 KCNH2 (0.53) KCNH2
SCHEMBL3346204 0.71 KCNH2 (0.54) KCNH2
SCHEMBL3345898 0.71 KCNH2 (0.54) KCNH2
SCHEMBL3350867 0.71 KCNH2 (0.52) KCNH2

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-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO claimed