SCHEMBL6232156

SCHEMBL6232156

NCCCc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.38
KIF11 P52732 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
DAO P14920 2/20 0.33
HTR2A P28223 2/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL6232121 0.93 SLC7A5 (0.39) SLC7A5KIF11CA1CA2CA9
SCHEMBL17277356 0.90 SLC7A5 (0.35) SLC7A5KIF11CA1CA2CA9
SCHEMBL6231719 0.88 HTR2A (0.42) KIF11CHRM2CHRM1CHRM3HTR2A
SCHEMBL15787319 0.88 GRIN2B (0.42) SLC7A5CHRM2CHRM1CHRM3PRMT6
SCHEMBL12062340 0.85 HTR1D (0.38) SLC7A5KIF11CHRM2CHRM1CHRM3
SCHEMBL12075489 0.84 SLC7A5 (0.37) SLC7A5CA1CA2CA9CHRM2
SCHEMBL15787176 0.83 GRIN2B (0.41) SLC7A5CA1CA2CA9CHRM2
SCHEMBL2026450 0.82 CHRM2 (0.52) KIF11CHRM2CHRM1CHRM3DAO
Hydrochloric Acid SCHEMBL21295133 0.81 CHRM2 (0.51) KIF11CHRM2CHRM1CHRM3DAO
SCHEMBL2024806 0.81 SLC7A5 (0.48) SLC7A5KIF11DAOMAOBAOC3

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-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 WO disclosed