SCHEMBL3353138

SCHEMBL3353138

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
KCNH2 Q12809 1/20 0.51
KCNQ4 P56696 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
GPR139 Q6DWJ6 5/20 0.47
RECQL P46063 1/20 0.46
CACNA1G O43497 2/20 0.43
ROCK2 O75116 2/20 0.42
SCN9A Q15858 1/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3346676 0.91 KCNQ3 (0.53) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3346539 0.89 KCNH2 (0.57) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3346373 0.89 KCNH2 (0.57) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL13365101 0.89 KCNH2 (0.54) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3353133 0.88 KCNH2 (0.47) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3346230 0.88 KCNQ3 (0.66) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL13365126 0.86 KCNH2 (0.52) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3347954 0.86 POLB (0.54) KCNH2ROCK2LMNASMN1; SMN2
SCHEMBL3353261 0.85 GPR88 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5ROCK2
SCHEMBL13364979 0.83 KCNH2 (0.58) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5

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