SCHEMBL21708593

SCHEMBL21708593

CCCC(F)OC(=O)CCC(CN)c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CHRNA7 P36544 1/20 0.31
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
MAPT P10636 1/20 0.31
KIF11 P52732 1/20 0.31
ADRA2C P18825 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL21708537 0.91 PTGFR (0.33) MAPT
SCHEMBL21708517 0.90 PTGFR (0.35) MAPTFFAR1FFAR4
SCHEMBL21708700 0.86 CES2 (0.34) CES2CES1
SCHEMBL21708658 0.86 TAS1R3 (0.34) CES2CES1ALDH1A1
SCHEMBL21708482 0.81 CES2 (0.33) CES2CES1CHRNA7PSEN1PSEN2
SCHEMBL21708590 0.80 L3MBTL1 (0.41) HPGDPOLB
SCHEMBL21708509 0.80 NISCH (0.36) ALDH1A1POLB
SCHEMBL21656362 0.80 CES2 (0.36) CES2CES1PSEN1PSEN2APH1B
SCHEMBL21708727 0.80 PTGFR (0.30)
SCHEMBL21708613 0.80 TAS1R3 (0.33) CES2CES1

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