SCHEMBL3416539

SCHEMBL3416539

CC[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 4/20 0.43
REN P00797 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KCNH2 Q12809 1/20 0.42
ROCK2 O75116 3/20 0.41
KCNQ3 O43525 3/20 0.41
KCNQ2 O43526 3/20 0.41
PPARG P37231 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39

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
SCHEMBL3353261 0.87 GPR88 (0.46) GPR88TDP1RENTAS1R3TAS1R1
SCHEMBL13365126 0.86 KCNH2 (0.52) SLC6A2KCNH2ROCK2KCNQ3KCNQ2
SCHEMBL3346531 0.82 GPR88 (0.66) GPR88TDP1KCNH2KCNQ3KCNQ2
SCHEMBL3353012 0.81 KCNH2 (0.59) GPR88TDP1KCNH2KCNQ3KCNQ2
SCHEMBL3353295 0.79 GPR88 (0.52) GPR88TDP1KCNH2KCNQ3KCNQ2
SCHEMBL2229909 0.78 MC4R (0.63) SLC6A2KCNH2ROCK2
SCHEMBL3353040 0.78 KCNH2 (0.48) SLC6A2KCNH2ROCK2KCNQ3KCNQ2
SCHEMBL3353232 0.76 POLB (0.53) SLC6A2KCNH2ROCK2
SCHEMBL3346605 0.76 KCNH2 (0.55) SLC6A2KCNH2ROCK2KCNQ3KCNQ2
SCHEMBL12188593 0.75 SLC6A2 (0.46) SLC6A2KCNH2SLC6A4

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 1 patent. 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