SCHEMBL21708613

SCHEMBL21708613

CCCC(F)OC(=O)CCC(CN)c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PTGFR P43088 3/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
F2R P25116 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL21708770 0.92 PTGFR (0.35) PTGFR
SCHEMBL21708491 0.90 PTGFR (0.37) PTGFRF2R
SCHEMBL21708580 0.90 KMT2A (0.34)
SCHEMBL21708507 0.87 PTGFR (0.33) PTGFR
SCHEMBL21708658 0.86 TAS1R3 (0.34) TAS1R3TAS1R1PTGFRCES2CES1
SCHEMBL21708612 0.86 TAS1R3 (0.32) TAS1R3TAS1R1F2R
SCHEMBL21708727 0.85 PTGFR (0.30) PTGFR
SCHEMBL21708464 0.85 PTGFR (0.35) TAS1R3TAS1R1PTGFR
SCHEMBL21708615 0.82 PTGFR (0.35) PTGFR
SCHEMBL21708602 0.81 SMN1; SMN2 (0.33) PTGFR

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
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed