SCHEMBL14355832

SCHEMBL14355832

CC(C)C(=O)Nc1ccccc1N1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.71
MAPK1 P28482 3/20 0.71
POLB P06746 2/20 0.71
CASP1 P29466 1/20 0.71
CASP7 P55210 1/20 0.71
ALDH1A1 P00352 2/20 0.70
GAA P10253 2/20 0.61
KCNQ2 O43526 2/20 0.59
KDM4E B2RXH2 1/20 0.56
NPBWR1 P48145 1/20 0.56
MCHR1 Q99705 1/20 0.56
MAPK10 P53779 1/20 0.56
TSHR P16473 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
MAPT P10636 1/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL14355837 0.86 MAPK1 (0.57) HSD17B10MAPK1POLBCASP1CASP7
SCHEMBL18711850 0.84 ALDH1A1 (0.70) HSD17B10MAPK1POLBCASP1CASP7
SCHEMBL5558994 0.84 POLB (0.66) HSD17B10MAPK1POLBCASP1CASP7
SCHEMBL13159555 0.83 MAPK1 (0.64) HSD17B10MAPK1POLBCASP7GAA
SCHEMBL19977050 0.82 MAPK1 (0.63) HSD17B10MAPK1POLBCASP1CASP7
SCHEMBL14355833 0.82 GAA (0.80) HSD17B10MAPK1POLBALDH1A1GAA
SCHEMBL5337500 0.80 ALDH1A1 (0.67) HSD17B10MAPK1POLBCASP1CASP7
SCHEMBL14355836 0.79 MAPK1 (0.60) HSD17B10MAPK1POLBCASP7ALDH1A1
SCHEMBL14355804 0.77 BRD9 (0.51) HSD17B10MAPK1POLBCASP1CASP7
SCHEMBL8908801 0.77 MAPK1 (0.57) HSD17B10MAPK1POLBCASP7ALDH1A1

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