SCHEMBL3346676

SCHEMBL3346676

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.53
KCNQ2 O43526 3/20 0.53
KCNH2 Q12809 1/20 0.49
KCNQ4 P56696 2/20 0.48
KCNQ5 Q9NR82 2/20 0.48
ROCK2 O75116 3/20 0.47
GPR139 Q6DWJ6 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.44
NTSR1 P30989 1/20 0.43
CACNA1G O43497 2/20 0.42
SLC6A3 Q01959 1/20 0.42
SCN9A Q15858 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
SCHEMBL3353138 0.91 KCNQ3 (0.52) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3346230 0.88 KCNQ3 (0.66) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3346539 0.87 KCNH2 (0.57) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3346373 0.87 KCNH2 (0.57) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL13365126 0.87 KCNH2 (0.52) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3349846 0.86 ROCK2 (0.48) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3350741 0.84 KCNH2 (0.62) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3348159 0.83 KCNH2 (0.53) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL3353133 0.82 KCNH2 (0.47) KCNQ3KCNQ2KCNH2KCNQ4KCNQ5
SCHEMBL13364979 0.81 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