SCHEMBL7759750

SCHEMBL7759750

CCCC(C)C(F)(C(N)=O)C(C)CC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7760140 0.90 CA1 (0.31) CA1CA2
SCHEMBL7763699 0.80
SCHEMBL7761203 0.74 CA1 (0.35) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL7761229 0.74 ALOX5 (0.35)
SCHEMBL23370922 0.73 CA1 (0.34) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL7760196 0.73 LMNA (0.32) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL4886842 0.71 CA2 (0.39) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL9767794 0.71 CHRM1 (0.36) CA1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7757130 0.71 LMNA (0.33) CA1CA2ADRA1ATDP1CYP3A4
SCHEMBL7760204 0.70 CA1 (0.32) CA1CA2

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-1089962-A1 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-04-11 EP disclosed
WO-1999067199-A1 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES INC. (US) 1999-12-29 WO disclosed