SCHEMBL20201749

SCHEMBL20201749

CCc1cc(OCC2CC2)on1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNA5 P30532 3/20 0.48
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
CNR2 P34972 3/20 0.43
HCAR2 Q8TDS4 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL20204747 0.81 CHRNB2 (0.67) CHRNB2CHRNA5CHRNB4CHRNA3CNR2
SCHEMBL22751297 0.77 CHRNB4 (0.43) CHRNB2CHRNA5CHRNB4CHRNA3CNR2
SCHEMBL21325076 0.77 CHRNB2 (0.43) CHRNB2CHRNA5CHRNB4CHRNA3CNR2
SCHEMBL22432012 0.74
SCHEMBL20376102 0.72 CHRNB2 (0.38) CHRNB2CHRNA5CHRNB4CHRNA3CNR2
SCHEMBL28013059 0.67 CNR2 (0.41) CNR2
SCHEMBL17200005 0.67 EPHX2 (0.36) HCAR2
SCHEMBL18708222 0.66 PDE4D (0.44) CNR2
SCHEMBL9525312 0.66 EPHX2 (0.38)
SCHEMBL29011020 0.66 EPHX2 (0.35) CHRNB2CHRNA5CHRNB4CHRNA3CHRNA4

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