SCHEMBL3346445

SCHEMBL3346445

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccccc1Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
RECQL P46063 1/20 0.50
KCNH2 Q12809 1/20 0.49
KCNQ4 P56696 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
GPR139 Q6DWJ6 2/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 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
SCHEMBL3349846 0.89 ROCK2 (0.48) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL13365119 0.84 HPGD (0.49) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL3346381 0.84 SSTR4 (0.51) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL3346230 0.84 KCNQ3 (0.66) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL3346373 0.83 KCNH2 (0.57) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL3346539 0.83 KCNH2 (0.57) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL13365126 0.83 KCNH2 (0.52) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL3353138 0.82 KCNQ3 (0.52) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL13365131 0.81 KCNQ3 (0.47) KCNQ3KCNQ2RECQLKCNH2KCNQ4
SCHEMBL3346676 0.81 KCNQ3 (0.53) KCNQ3KCNQ2RECQLKCNH2KCNQ4

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