SCHEMBL20204766

SCHEMBL20204766

Cc1ccc(F)c(OCC2CNC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A3 Q01959 5/20 0.43
HTR1A P08908 1/20 0.43
KDM1A O60341 1/20 0.38
EGFR P00533 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
SCN9A Q15858 1/20 0.37
HTR6 P50406 1/20 0.37
FFAR1 O14842 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
IRAK4 Q9NWZ3 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 0.85 GRM2 (0.43) SLC6A4SLC6A2SLC6A3HTR1AEGFR
SCHEMBL20201895 0.85 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3HTR1AKDM1A
SCHEMBL20376236 0.83 GRM2 (0.45) SLC6A4SLC6A2SLC6A3HTR1AEGFR
SCHEMBL24153920 0.83 SCN9A (0.43) SLC6A4SLC6A2SLC6A3HTR1ASCN9A
SCHEMBL21533893 0.82 SLC6A4 (0.40) SLC6A4SCN9AHTR6
SCHEMBL18374090 0.81 HCRTR2 (0.39) SLC6A4SLC6A2SLC6A3HTR1AFFAR1
SCHEMBL765039 0.81 SCN9A (0.44) SLC6A4SCN9AHTR6
SCHEMBL21325081 0.81 DUT (0.40) SLC6A4SCN9AHTR6
SCHEMBL21325504 0.81 DUT (0.40) SLC6A4SLC6A2SLC6A3IRAK4
SCHEMBL427961 0.81 CTSS (0.41) CHRNB2CHRNA4

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