SCHEMBL3346485

SCHEMBL3346485

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.63
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNQ4 P56696 1/20 0.49
KCNQ5 Q9NR82 1/20 0.49
RECQL P46063 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR1 O14842 1/20 0.42
CHRNA7 P36544 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
PDE2A O00408 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
SCHEMBL3346321 0.90 KCNH2 (0.77) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346230 0.89 KCNQ3 (0.66) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13364979 0.87 KCNH2 (0.58) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346539 0.86 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346373 0.86 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3347178 0.86 KCNH2 (0.53) KCNH2LMNA
SCHEMBL13365070 0.84 KCNH2 (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3412005 0.84 KCNH2 (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3353031 0.83 KCNH2 (0.59) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3348159 0.82 KCNH2 (0.53) 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 2 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