SCHEMBL21708650

SCHEMBL21708650

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
F2R P25116 1/20 0.35
PTGFR P43088 6/20 0.32
PDE2A O00408 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GAA P10253 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
VNN1 O95497 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 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
SCHEMBL21708466 0.90 F2R (0.36) KCNK3KCNK9F2RPTGFRPDE2A
SCHEMBL21708731 0.89 POLB (0.41) L3MBTL1POLBHTTNPSR1ALDH1A1
SCHEMBL21709050 0.88 KMT2A (0.36) HCRTR1GAAL3MBTL1HTTPPARG
SCHEMBL21708746 0.84 CNR2 (0.34) KCNK3KCNK9POLBPPARG
SCHEMBL21708631 0.83 KMT2A (0.38) GAAPOLBNPSR1ALDH1A1
SCHEMBL21708675 0.82 CCR1 (0.37) GAAHTTNPSR1ALDH1A1
SCHEMBL21708713 0.81 KCNK3 (0.37) KCNK3KCNK9F2RPTGFRPDE2A
SCHEMBL21656299 0.81 KCNK3 (0.37) KCNK3KCNK9GAARXRARXRB
SCHEMBL21708544 0.79 POLB (0.38) L3MBTL1POLBHTTNPSR1PPARG
SCHEMBL21632117 0.79 FFAR1 (0.41) KCNK3KCNK9PTGFRGAARXRA

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