SCHEMBL3353009

SCHEMBL3353009

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.67
MC4R P32245 3/20 0.42
KCNQ3 O43525 4/20 0.42
KCNQ2 O43526 4/20 0.42
KCNQ4 P56696 3/20 0.42
KCNQ5 Q9NR82 3/20 0.42
ROCK2 O75116 2/20 0.42
FFAR1 O14842 1/20 0.41
CASR P41180 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3346354 1.00 KCNH2 (0.67) KCNH2MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL3350659 0.89 KCNH2 (0.68) KCNH2MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL13365111 0.89 KCNH2 (0.68) KCNH2MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL3346364 0.89 KCNH2 (0.68) KCNH2MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL3346599 0.89 KCNH2 (0.68) KCNH2MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL3346321 0.88 KCNH2 (0.77) KCNH2MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL3346490 0.87 KCNH2 (0.65) KCNH2ROCK2CASRMEN1KMT2A
SCHEMBL3346383 0.86 KCNH2 (0.50) KCNH2ROCK2CASR
SCHEMBL3350867 0.86 KCNH2 (0.52) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365099 0.83 KCNH2 (0.52) KCNH2MC4RKCNQ3KCNQ2KCNQ4

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