SCHEMBL14356004

SCHEMBL14356004

CC(C)NC(=O)Nc1ccccc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.55
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 5/20 0.53
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHEK1 O14757 3/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNQ3 O43525 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
KCNQ4 P56696 1/20 0.49

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
SCHEMBL5558994 0.86 POLB (0.66) KCNQ2MAPTNPSR1L3MBTL1GAA
SCHEMBL14355837 0.85 MAPK1 (0.57) KCNQ2MAPTNPSR1L3MBTL1GAA
SCHEMBL1646812 0.82 NPSR1 (0.51) MAPTNPSR1L3MBTL1GAACHEK1
SCHEMBL7537046 0.81 CHEK1 (0.54) MAPTNPSR1L3MBTL1CHEK1
SCHEMBL19977049 0.80 ALDH1A1 (0.55) KCNQ2MAPTNPSR1GAAMAPK1
SCHEMBL14356046 0.80 GAA (0.78) KCNQ2MAPTNPSR1L3MBTL1GAA
SCHEMBL1646808 0.80 CHEK1 (0.55) CHEK1
SCHEMBL13062775 0.78 ADRB1 (0.54) MAPTHSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL14356002 0.78 CHEK1 (0.54) MAPTNPSR1L3MBTL1GAAPOLB
SCHEMBL5336322 0.78 ALDH1A1 (0.52) KCNQ2MAPTNPSR1L3MBTL1GAA

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
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed