SCHEMBL20201664

SCHEMBL20201664

Cc1ccc(F)c(OC[C@H]2CCCN2C)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.56
CHRNA3 P32297 6/20 0.56
CHRNB2 P17787 4/20 0.55
CHRNA4 P43681 4/20 0.55
CHRNB1 P11230 3/20 0.55
CHRNB3 Q05901 3/20 0.55

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
SCHEMBL20201653 1.00 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL21533930 0.84 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL13861974 0.84 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL10196599 0.84 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL15948903 0.84 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL20201725 0.83 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL21324925 0.83 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL21324916 0.83 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL10873425 0.82 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL2035662 0.81 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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 3 patents. 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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS 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