SCHEMBL3346539

SCHEMBL3346539

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNQ4 P56696 1/20 0.51
KCNQ5 Q9NR82 1/20 0.51
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RECQL P46063 1/20 0.47
GPR139 Q6DWJ6 1/20 0.46
PRCP P42785 1/20 0.46
CACNA1G O43497 2/20 0.46
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ROCK2 O75116 3/20 0.44
CDC42 P60953 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKG2 Q13237 1/20 0.44
PKN2 Q16513 1/20 0.44
MC4R P32245 3/20 0.43

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
SCHEMBL3346373 1.00 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346230 0.91 KCNQ3 (0.66) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3353138 0.89 KCNQ3 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13364979 0.89 KCNH2 (0.58) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13364977 0.88 KCNH2 (0.60) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3347919 0.88 KCNH2 (0.60) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365126 0.87 KCNH2 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346676 0.87 KCNQ3 (0.53) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346905 0.87 KCNH2 (0.49) KCNH2KCNQ3KCNQ2GAAHPGD
SCHEMBL13365099 0.87 KCNH2 (0.52) 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