SCHEMBL21708481

SCHEMBL21708481

CCCC(F)OC(=O)CCC(CN)c1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
PTGFR P43088 3/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21708612 0.89 TAS1R3 (0.32) GAAL3MBTL1
SCHEMBL21708615 0.87 PTGFR (0.35) GAAPTGFR
SCHEMBL21708770 0.85 PTGFR (0.35) PTGFRL3MBTL1
SCHEMBL21708507 0.85 PTGFR (0.33) GAAPTGFR
SCHEMBL21708537 0.82 PTGFR (0.33) GAAPTGFRL3MBTL1
SCHEMBL21708509 0.81 NISCH (0.36) GAAPTGFRL3MBTL1
SCHEMBL21708613 0.81 TAS1R3 (0.33) PTGFR
Hydrochloric Acid SCHEMBL21708570 0.80 NISCH (0.35) GAAPTGFRL3MBTL1
SCHEMBL21708626 0.80 L3MBTL1 (0.30) L3MBTL1
SCHEMBL21708727 0.78 PTGFR (0.30) 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-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed