SCHEMBL3412005

SCHEMBL3412005

COc1ccc([C@@H]2CNC[C@H]2C(=O)N[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNQ4 P56696 1/20 0.49
KCNQ5 Q9NR82 1/20 0.49
CHRNA7 P36544 1/20 0.48
GPR88 Q9GZN0 1/20 0.47
GAA P10253 1/20 0.46
KDM1A O60341 1/20 0.46
MC4R P32245 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3346230 0.89 KCNQ3 (0.66) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13364979 0.87 KCNH2 (0.58) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3353031 0.87 KCNH2 (0.59) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346539 0.86 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346373 0.86 KCNH2 (0.57) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346531 0.86 GPR88 (0.66) KCNH2KCNQ3KCNQ2GPR88MC4R
SCHEMBL13365070 0.84 KCNH2 (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346485 0.84 KCNH2 (0.63) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3348159 0.84 KCNH2 (0.53) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3346321 0.83 KCNH2 (0.77) 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