SCHEMBL21708466

SCHEMBL21708466

CCCC(F)OC(=O)CCC(C#N)c1ccccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.36
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
FFAR1 O14842 1/20 0.34
PTGFR P43088 3/20 0.34
APP P05067 2/20 0.32
VNN1 O95497 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MME P08473 1/20 0.32
PPARG P37231 1/20 0.31
PDE2A O00408 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
CETP P11597 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21708650 0.90 KCNK3 (0.36) F2RKCNK3KCNK9PTGFRVNN1
SCHEMBL21708544 0.89 POLB (0.38) PPARG
SCHEMBL21708654 0.87 MEN1 (0.38) KCNK3PTGFRPPARGGAA
SCHEMBL21708473 0.85 CNR2 (0.34) F2RKCNK3KCNK9PPARG
SCHEMBL21708707 0.83 CCR1 (0.36)
SCHEMBL21708548 0.83 MEN1 (0.35) GAA
SCHEMBL21656351 0.82 APP (0.44) KCNK3KCNK9FFAR1PTGFRAPP
SCHEMBL21708512 0.82 CCR1 (0.36) GAA
SCHEMBL21708582 0.82 PTGFR (0.38) F2RKCNK3KCNK9PTGFRAPP
SCHEMBL21631974 0.81 FFAR1 (0.45) KCNK3KCNK9FFAR1PTGFRAPP

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