SCHEMBL3353040

SCHEMBL3353040

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
ROCK2 O75116 7/20 0.44
SLC6A2 P23975 5/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL13365065 0.90 KCNH2 (0.52) KCNH2ROCK2KCNQ3KCNQ2KCNQ4
SCHEMBL3353036 0.90 KCNH2 (0.52) KCNH2ROCK2KCNQ3KCNQ2KCNQ4
SCHEMBL13365099 0.90 KCNH2 (0.52) KCNH2ROCK2KCNQ3KCNQ2KCNQ4
SCHEMBL3353124 0.90 KCNH2 (0.52) KCNH2ROCK2KCNQ3KCNQ2KCNQ4
SCHEMBL3346605 0.89 KCNH2 (0.55) KCNH2ROCK2SLC6A2KCNQ3KCNQ2
SCHEMBL13365126 0.89 KCNH2 (0.52) KCNH2ROCK2SLC6A2KCNQ3KCNQ2
SCHEMBL3353133 0.88 KCNH2 (0.47) KCNH2ROCK2KCNQ3KCNQ2KCNQ4
SCHEMBL3353232 0.86 POLB (0.53) KCNH2ROCK2SLC6A2LMNAHTT
SCHEMBL3353108 0.85 KCNH2 (0.46) KCNH2ROCK2KCNQ3KCNQ2
SCHEMBL13365111 0.84 KCNH2 (0.68) KCNH2ROCK2KCNQ3KCNQ2KCNQ4

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