SCHEMBL3350696

SCHEMBL3350696

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)o1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
ROCK2 O75116 3/20 0.42
CDC42 P60953 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKG2 Q13237 1/20 0.42
PKN2 Q16513 1/20 0.42
PRCP P42785 1/20 0.41
MC4R P32245 10/20 0.40
MC5R P33032 2/20 0.38
MC3R P41968 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL3350686 0.88 KCNH2 (0.63) KCNH2ROCK2MC4R
SCHEMBL3346373 0.81 KCNH2 (0.57) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3346539 0.81 KCNH2 (0.57) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL13364977 0.80 KCNH2 (0.60) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3347919 0.80 KCNH2 (0.60) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3353124 0.78 KCNH2 (0.52) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL13365065 0.78 KCNH2 (0.52) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3353036 0.78 KCNH2 (0.52) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL13365099 0.78 KCNH2 (0.52) KCNH2ROCK2CDC42PRKCEPRKG2
SCHEMBL3346410 0.78 KCNH2 (0.48) 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 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