SCHEMBL3348192

SCHEMBL3348192

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)nc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNQ4 P56696 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
HDAC4 P56524 1/20 0.44
CHRNA7 P36544 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
RECQL P46063 1/20 0.40
FFAR1 O14842 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SCN9A Q15858 1/20 0.38
ACACB O00763 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
SCHEMBL3415190 0.91 KCNH2 (0.59) KCNH2HDAC4CHRNA7ACACB
SCHEMBL3347928 0.90 KCNH2 (0.53) KCNH2KCNQ3KCNQ2HDAC4TRPM8
SCHEMBL3350867 0.89 KCNH2 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346204 0.87 KCNH2 (0.54) KCNH2HDAC4TRPM8
SCHEMBL3345898 0.87 KCNH2 (0.54) KCNH2HDAC4TRPM8
SCHEMBL3346506 0.87 KCNH2 (0.51) KCNH2
SCHEMBL13365060 0.86 KCNH2 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365073 0.85 KCNH2 (0.50) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346321 0.84 KCNH2 (0.77) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346727 0.84 KCNH2 (0.53) KCNH2HDAC4TRPM8ACACB

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 3 patents. 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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed