SCHEMBL3349846

SCHEMBL3349846

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNH2 Q12809 1/20 0.46
GPR139 Q6DWJ6 3/20 0.46
HDAC8 Q9BY41 2/20 0.44
BRS3 P32247 1/20 0.44
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
CACNA1G O43497 2/20 0.41
HSD17B1 P14061 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3346492 0.90 ROCK2 (0.46) ROCK2KCNQ3KCNQ2KCNH2GPR139
SCHEMBL3346445 0.89 KCNQ3 (0.50) KCNQ3KCNQ2KCNH2GPR139RECQL
SCHEMBL13365133 0.87 ROCK2 (0.48) ROCK2KCNQ3KCNQ2HDAC8MEN1
SCHEMBL3346676 0.86 KCNQ3 (0.53) ROCK2KCNQ3KCNQ2KCNH2GPR139
SCHEMBL3346373 0.84 KCNH2 (0.57) ROCK2KCNQ3KCNQ2KCNH2GPR139
SCHEMBL3346539 0.84 KCNH2 (0.57) ROCK2KCNQ3KCNQ2KCNH2GPR139
SCHEMBL3353138 0.83 KCNQ3 (0.52) ROCK2KCNQ3KCNQ2KCNH2GPR139
SCHEMBL13365126 0.81 KCNH2 (0.52) ROCK2KCNQ3KCNQ2KCNH2GPR139
SCHEMBL3346381 0.80 SSTR4 (0.51) KCNQ3KCNQ2KCNH2RECQLKCNQ4
SCHEMBL3346230 0.80 KCNQ3 (0.66) ROCK2KCNQ3KCNQ2KCNH2RECQL

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