SCHEMBL17206997

SCHEMBL17206997

CCCCC1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 18/20 0.55
CHRM2 P08172 1/20 0.47
DPP4 P27487 1/20 0.44

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
SCHEMBL17033958 0.92 CHRM4 (0.57) CHRM4CHRM2
SCHEMBL2056186 0.87 CHRM4 (0.55) CHRM4CHRM2
SCHEMBL547906 0.82 CHRM4 (0.59) CHRM4CHRM2
SCHEMBL7790074 0.82 ME2 (0.42) CHRM4CHRM2DPP4
SCHEMBL30516679 0.81 KDM4E (0.44) DPP4
SCHEMBL13279361 0.81 CHRM4 (0.55) CHRM4CHRM2
SCHEMBL2056147 0.81 CHRM4 (0.57) CHRM4CHRM2
SCHEMBL2056106 0.81 CHRM4 (0.57) CHRM4CHRM2
SCHEMBL13279873 0.80 CHRM4 (0.59) CHRM4CHRM2
SCHEMBL13279129 0.80 CHRM4 (0.54) CHRM4CHRM2

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
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed