SCHEMBL3346531

SCHEMBL3346531

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 4/20 0.66
KCNH2 Q12809 1/20 0.48
KCNA5 P22460 1/20 0.47
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MC4R P32245 5/20 0.44
TACR3 P29371 1/20 0.43
KCNK3 O14649 1/20 0.42

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
SCHEMBL3353295 0.88 GPR88 (0.52) GPR88KCNH2KCNQ3KCNQ2TDP1
SCHEMBL3412005 0.86 KCNH2 (0.55) GPR88KCNH2KCNQ3KCNQ2TDP1
SCHEMBL3353012 0.84 KCNH2 (0.59) GPR88KCNH2KCNA5KCNQ3KCNQ2
SCHEMBL3416539 0.82 GPR88 (0.45) GPR88KCNH2KCNQ3KCNQ2TDP1
SCHEMBL3353261 0.82 GPR88 (0.46) GPR88KCNQ3KCNQ2TDP1
SCHEMBL2496243 0.80 GPR88 (1.00) GPR88
SCHEMBL13364990 0.79 KCNH2 (0.69) KCNH2TDP1MC4R
SCHEMBL22856675 0.78 GPR88 (0.71) GPR88KCNQ3KCNQ2
SCHEMBL15248899 0.78 GPR88 (0.71) GPR88KCNQ3KCNQ2
SCHEMBL15239361 0.78 GPR88 (0.71) GPR88KCNQ3KCNQ2

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