SCHEMBL3346410

SCHEMBL3346410

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
SSTR4 P31391 1/20 0.42
ROCK2 O75116 3/20 0.41
CDC42 P60953 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKG2 Q13237 1/20 0.41
PKN2 Q16513 1/20 0.41
MC4R P32245 9/20 0.41
MC5R P33032 2/20 0.41
MC3R P41968 2/20 0.41
MC1R Q01726 1/20 0.40
CNR2 P34972 1/20 0.40
SLC6A4 P31645 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 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
SCHEMBL13365134 0.87 KCNH2 (0.64) KCNH2SSTR4MC4RKCNQ3KCNQ2
SCHEMBL13365071 0.87 KCNH2 (0.43) KCNH2SSTR4ROCK2
SCHEMBL13365050 0.85 SSTR4 (0.39) KCNH2SSTR4ROCK2MC4RCNR2
SCHEMBL3346539 0.84 KCNH2 (0.57) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3346373 0.84 KCNH2 (0.57) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL13364977 0.82 KCNH2 (0.60) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3347919 0.82 KCNH2 (0.60) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3345898 0.81 KCNH2 (0.54) KCNH2SSTR4ROCK2
SCHEMBL13365099 0.81 KCNH2 (0.52) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3353036 0.81 KCNH2 (0.52) KCNH2ROCK2CDC42PRKCEPRKG2

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