SCHEMBL3350741

SCHEMBL3350741

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
KCNQ3 O43525 3/20 0.50
KCNQ2 O43526 3/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ROCK2 O75116 3/20 0.49
GPR139 Q6DWJ6 1/20 0.49
KCNQ4 P56696 2/20 0.48
KCNQ5 Q9NR82 2/20 0.48
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
RECQL P46063 1/20 0.42
FFAR1 O14842 1/20 0.41
HSD17B2 P37059 1/20 0.41
TACR1 P25103 2/20 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
SCHEMBL3346321 0.88 KCNH2 (0.77) KCNH2KCNQ3KCNQ2ATML3MBTL1
SCHEMBL3346230 0.85 KCNQ3 (0.66) KCNH2KCNQ3KCNQ2ROCK2KCNQ4
SCHEMBL3346676 0.84 KCNQ3 (0.53) KCNH2KCNQ3KCNQ2ATMROCK2
SCHEMBL3346599 0.82 KCNH2 (0.68) KCNH2KCNQ3KCNQ2ROCK2KCNQ4
SCHEMBL3350659 0.82 KCNH2 (0.68) KCNH2KCNQ3KCNQ2ROCK2KCNQ4
SCHEMBL13365111 0.82 KCNH2 (0.68) KCNH2KCNQ3KCNQ2ROCK2KCNQ4
SCHEMBL3346364 0.82 KCNH2 (0.68) KCNH2KCNQ3KCNQ2ROCK2KCNQ4
SCHEMBL3353009 0.81 KCNH2 (0.67) KCNH2KCNQ3KCNQ2ROCK2KCNQ4
SCHEMBL3346354 0.81 KCNH2 (0.67) KCNH2KCNQ3KCNQ2ROCK2KCNQ4
SCHEMBL3346485 0.81 KCNH2 (0.63) 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 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