SCHEMBL3353232

SCHEMBL3353232

COc1cccc([C@H](C)NC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ROCK2 O75116 12/20 0.50
PRKG1 Q13976 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
KCNH2 Q12809 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ROCK1 Q13464 6/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHEK1 O14757 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL3346274 0.90 POLB (0.54) POLBROCK2PRKG1SMN1; SMN2KCNH2
SCHEMBL3347954 0.88 POLB (0.54) POLBROCK2PRKG1SMN1; SMN2KCNH2
SCHEMBL13365126 0.87 KCNH2 (0.52) ROCK2KCNH2MEN1KMT2ALMNA
SCHEMBL3353040 0.86 KCNH2 (0.48) ROCK2SMN1; SMN2KCNH2LMNAHTT
SCHEMBL3352431 0.86 ROCK2 (0.52) POLBROCK2PRKG1SMN1; SMN2KCNH2
SCHEMBL3347178 0.85 KCNH2 (0.53) POLBROCK2PRKG1SMN1; SMN2KCNH2
SCHEMBL3348185 0.85 POLB (0.53) POLBROCK2PRKG1SMN1; SMN2KCNH2
SCHEMBL3346490 0.84 KCNH2 (0.65) POLBROCK2PRKG1SMN1; SMN2KCNH2
SCHEMBL3348200 0.83 KCNH2 (0.52) POLBROCK2PRKG1SMN1; SMN2KCNH2
SCHEMBL3350725 0.82 POLB (0.52) POLBROCK2PRKG1SMN1; SMN2MEN1

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 3 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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed