SCHEMBL21708700

SCHEMBL21708700

CCCC(F)OC(=O)CCC(CN)c1cc(F)cc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PTGFR P43088 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL21708593 0.86 CES2 (0.34) CES2CES1
SCHEMBL21708727 0.84 PTGFR (0.30) PTGFR
SCHEMBL21708537 0.84 PTGFR (0.33) PTGFR
SCHEMBL21708517 0.83 PTGFR (0.35) PTGFR
SCHEMBL21708658 0.81 TAS1R3 (0.34) CES2CES1PTGFR
SCHEMBL21708737 0.81 CES2 (0.33) CES2CES1
SCHEMBL21656226 0.80 CES2 (0.36) CES2CES1PTGFRTRPM8
SCHEMBL21708464 0.77 PTGFR (0.35) PTGFR
SCHEMBL21708613 0.77 TAS1R3 (0.33) CES2CES1PTGFR
SCHEMBL21632237 0.77 CES2 (0.42) CES2CES1PTGFRTRPM8

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
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed