SCHEMBL3353031

SCHEMBL3353031

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.59
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
KCNQ4 P56696 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
GPR139 Q6DWJ6 1/20 0.45
PDE2A O00408 3/20 0.43
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
CHRNA7 P36544 2/20 0.41
ACHE P22303 1/20 0.41
ROCK2 O75116 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL3346914 0.89 KCNH2 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3348200 0.88 KCNH2 (0.52) KCNH2GPR139ROCK2
SCHEMBL3412005 0.87 KCNH2 (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3353295 0.87 GPR88 (0.52) KCNH2KCNQ3KCNQ2GPR139PDE2A
SCHEMBL3346321 0.86 KCNH2 (0.77) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346230 0.85 KCNQ3 (0.66) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13364979 0.83 KCNH2 (0.58) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365070 0.83 KCNH2 (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346485 0.83 KCNH2 (0.63) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346539 0.82 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5

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