SCHEMBL20201717

SCHEMBL20201717

CNC1(c2ccc(F)c(OCC3CC3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
DUT P33316 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GRM2 Q14416 3/20 0.36
SCN9A Q15858 4/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 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
SCHEMBL20201806 0.96 OPRM1 (0.43) OPRM1OPRL1GRM2SCN9AHTR2A
SCHEMBL20351375 0.82 SCN9A (0.44) DUTSCN9A
SCHEMBL18379288 0.81 GRM2 (0.38) DUTPDE4APDE4BPDE4CPDE4D
SCHEMBL20374169 0.80 DUT (0.42) DUTSCN9A
SCHEMBL20377800 0.79 DUT (0.37) DUTSCN9A
SCHEMBL20351385 0.79 DUT (0.43) DUT
SCHEMBL20188204 0.78 HTR2C (0.40) DUTGRM2HTR2AHTR2CHTR2B
SCHEMBL20393490 0.78 DUT (0.45) DUT
SCHEMBL20207753 0.78 KCNN4 (0.38) OPRM1OPRL1
SCHEMBL20351436 0.77 DUT (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed