SCHEMBL20204779

SCHEMBL20204779

Cc1ccc(F)c(OCC2CN(C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
GRM2 Q14416 4/20 0.37
HTR1A P08908 1/20 0.36
RBP4 P02753 1/20 0.36
NPY4R P50391 1/20 0.36
FFAR1 O14842 1/20 0.36
CHRM3 P20309 1/20 0.35

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
SCHEMBL765009 0.84 GRM2 (0.43) EGFRFGFR1FLT1FLT4KDR
SCHEMBL24153920 0.81 SCN9A (0.43) SLC6A4SLC6A2SLC6A3GRM2HTR1A
SCHEMBL20376236 0.81 GRM2 (0.45) EGFRFGFR1FLT1FLT4KDR
SCHEMBL23052632 0.81 DUT (0.42) ALDH1A1
SCHEMBL21325069 0.81 DUT (0.41) KDM4EALDH1A1RBP4
SCHEMBL765039 0.80 SCN9A (0.44) MAPTSLC6A4ALDH1A1TSHRGRM2
SCHEMBL18374090 0.80 HCRTR2 (0.39) SLC6A4SLC6A2SLC6A3ALDH1A1GRM2
SCHEMBL20204766 0.80 SLC6A4 (0.43) EGFRFGFR1FLT1FLT4KDR
SCHEMBL20201895 0.78 SLC6A2 (0.53) EGFRFGFR1FLT1FLT4KDR
SCHEMBL20206745 0.78 GRM2 (0.47) SLC6A4SLC6A2SLC6A3GRM2HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed