SCHEMBL20206745

SCHEMBL20206745

Cc1ccc(F)c(OCC2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.47
SCN9A Q15858 1/20 0.46
SYK P43405 1/20 0.45
DUT P33316 1/20 0.41
DHFR P00374 1/20 0.40
DCPS Q96C86 1/20 0.40
RORC P51449 1/20 0.39
P2RX4 Q99571 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PTGER1 P34995 1/20 0.38
BRD4 O60885 1/20 0.38
FFAR1 O14842 1/20 0.37

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) GRM2DUTDCPSHTR1ASLC6A2
SCHEMBL24153920 0.86 SCN9A (0.43) GRM2SCN9AHTR1ASLC6A2SLC6A4
SCHEMBL20376236 0.86 GRM2 (0.45) GRM2SCN9AHTR1ASLC6A2SLC6A4
SCHEMBL18374090 0.85 HCRTR2 (0.39) GRM2SYKHTR1ASLC6A2SLC6A4
SCHEMBL765039 0.85 SCN9A (0.44) GRM2SCN9ASLC6A4
SCHEMBL20201895 0.82 SLC6A2 (0.53) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10196592 0.82 ACHE (0.49) SYKSLC6A2SLC6A4
SCHEMBL13096912 0.82 HTR2A (0.45) GRM2SCN9ADUTDHFRDCPS
SCHEMBL21325101 0.82 GRM2 (0.44) GRM2SCN9ADUTDHFRDCPS
SCHEMBL20204766 0.79 SLC6A4 (0.43) SCN9AHTR1ASLC6A2SLC6A4SLC6A3

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-2018098208-A1 NITROGEN RING LINKED 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