SCHEMBL3346321

SCHEMBL3346321

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.77
KCNQ3 O43525 3/20 0.53
KCNQ2 O43526 3/20 0.53
KCNQ4 P56696 2/20 0.51
KCNQ5 Q9NR82 2/20 0.51
FFAR1 O14842 1/20 0.51
RECQL P46063 1/20 0.44
MC4R P32245 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE2A O00408 1/20 0.41
PTGER4 P35408 1/20 0.41
CHRNA7 P36544 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 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
SCHEMBL3346485 0.90 KCNH2 (0.63) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3350659 0.89 KCNH2 (0.68) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346599 0.89 KCNH2 (0.68) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346364 0.89 KCNH2 (0.68) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365111 0.89 KCNH2 (0.68) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346230 0.88 KCNQ3 (0.66) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3350741 0.88 KCNH2 (0.62) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346354 0.88 KCNH2 (0.67) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3353009 0.88 KCNH2 (0.67) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13364979 0.86 KCNH2 (0.58) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5

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