SCHEMBL8068783

SCHEMBL8068783

COC(=O)c1ccc(Cl)cc1NC(=O)Cc1cccc([C@H]2CN(C)Cc3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.46
SLC6A4 P31645 10/20 0.46
SLC6A3 Q01959 10/20 0.46
GAA P10253 2/20 0.42
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
KCNQ2 O43526 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8057198 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL8066583 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL8066586 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL8057433 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL8057430 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL8057428 0.76 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL8785078 0.73 MEN1 (0.63) GAAMEN1KMT2APOLBMAPT
SCHEMBL8784255 0.73 MEN1 (0.54) MEN1KMT2APOLBMAPTKCNQ2
SCHEMBL8784047 0.73 MEN1 (0.54) MEN1KMT2APOLBMAPTKCNQ2
SCHEMBL8783960 0.73 MEN1 (0.54) MEN1KMT2APOLBMAPTKCNQ2

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-6028080-A Quinolin-2-(1H)-ones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-22 US disclosed