SCHEMBL21708649

SCHEMBL21708649

CCCC(F)OC(=O)CC(C)(C#N)c1cc(F)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.39
NR3C2 P08235 12/20 0.39
PGR P06401 6/20 0.39
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21708724 0.93 NR3C2 (0.35) NR3C1NR3C2PGRTAS1R3TAS1R1
SCHEMBL21708670 0.88 MEN1 (0.36) TAS1R3TAS1R1L3MBTL1
SCHEMBL21708754 0.84
SCHEMBL21708769 0.82 TAS1R3 (0.34) TAS1R3TAS1R1L3MBTL1
Hydrochloric Acid SCHEMBL21708672 0.82 NR3C1 (0.36) NR3C1NR3C2TAS1R3TAS1R1
SCHEMBL21656580 0.81 NR3C1 (0.43) NR3C1NR3C2PGR
SCHEMBL21632105 0.79 NR3C1 (0.46) NR3C1NR3C2PGR
SCHEMBL21708659 0.77 SLC6A3 (0.32) L3MBTL1
SCHEMBL21708795 0.77 TAS1R3 (0.33) TAS1R3TAS1R1
SCHEMBL21708772 0.77 PTGFR (0.34) NR3C1NR3C2PGRTAS1R3TAS1R1

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