SCHEMBL20201895

SCHEMBL20201895

Cc1ccc(F)c(OCC2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.53
SLC6A4 P31645 6/20 0.53
SLC6A3 Q01959 4/20 0.53
HTR1A P08908 2/20 0.53
EGFR P00533 3/20 0.50
FGFR1 P11362 3/20 0.50
FLT1 P17948 3/20 0.50
FLT4 P35916 3/20 0.50
KDR P35968 3/20 0.50
TDP1 Q9NUW8 1/20 0.47
KDM1A O60341 5/20 0.46
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
EP300 Q09472 1/20 0.42
MAOB P27338 1/20 0.42
AKT1 P31749 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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 0.89 GRM2 (0.43) SLC6A2SLC6A4SLC6A3HTR1AEGFR
SCHEMBL13419304 0.88 EGFR (0.53) SLC6A2SLC6A4SLC6A3HTR1AEGFR
SCHEMBL1475712 0.86 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3HTR1ATDP1
SCHEMBL20376236 0.86 GRM2 (0.45) SLC6A2SLC6A4SLC6A3HTR1AEGFR
SCHEMBL24153920 0.86 SCN9A (0.43) SLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL1474704 0.85 TDP1 (0.49) SLC6A2SLC6A4SLC6A3HTR1AEGFR
SCHEMBL20204766 0.85 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3HTR1AEGFR
SCHEMBL765039 0.85 SCN9A (0.44) SLC6A4
SCHEMBL20206745 0.82 GRM2 (0.47) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13594935 0.82 MAP2K1 (0.47) SLC6A2SLC6A4SLC6A3HTR1AEGFR

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed