SCHEMBL20204680

SCHEMBL20204680

CC(C)COc1cc(CCNCCCCCCN2CCC(=O)NC2=O)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 10/20 0.45
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
GRM2 Q14416 1/20 0.33
SLC2A1 P11166 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL20204683 0.87 DUT (0.44) DUTGAAMEN1ALDH1A1TSHR
SCHEMBL20190448 0.81 DUT (0.49) DUTALDH1A1HTR1A
SCHEMBL20201702 0.81 DUT (0.65) DUTGAAMEN1ALDH1A1TSHR
SCHEMBL20207749 0.81 DUT (0.65) DUTGAAMEN1ALDH1A1TSHR
SCHEMBL20204678 0.77 DUT (0.44) DUTGAAMEN1ALDH1A1TSHR
SCHEMBL20560444 0.77 DUT (0.68) DUT
SCHEMBL18374675 0.77 DUT (0.68) DUT
SCHEMBL18374482 0.76 DUT (0.53) DUTGAAMEN1ALDH1A1TSHR
SCHEMBL21691007 0.75 DUT (0.66) DUT
SCHEMBL20207690 0.73 DUT (0.56) DUT

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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed