SCHEMBL3348159

SCHEMBL3348159

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
KCNQ4 P56696 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
RECQL P46063 1/20 0.45
ROCK2 O75116 1/20 0.44
GPR88 Q9GZN0 2/20 0.43
SCN9A Q15858 1/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MMP9 P14780 1/20 0.41
SSTR4 P31391 1/20 0.41
HCAR2 Q8TDS4 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
SCHEMBL3346230 0.87 KCNQ3 (0.66) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365126 0.85 KCNH2 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13364979 0.85 KCNH2 (0.58) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3412005 0.84 KCNH2 (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346539 0.84 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346373 0.84 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346676 0.83 KCNQ3 (0.53) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3353138 0.83 KCNQ3 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365070 0.82 KCNH2 (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346485 0.82 KCNH2 (0.63) 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