SCHEMBL6232121

SCHEMBL6232121

NCCCCCc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.39
HRH1 P35367 4/20 0.39
MAOA P21397 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FUT7 Q11130 1/20 0.34
KIF11 P52732 2/20 0.33
PRMT6 Q96LA8 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL6232156 0.93 SLC7A5 (0.38) SLC7A5CA1CA2CA9KIF11
SCHEMBL12075489 0.88 SLC7A5 (0.37) SLC7A5HRH1MAOACA1CA2
SCHEMBL15787176 0.87 GRIN2B (0.41) SLC7A5HRH1MAOACA1CA2
SCHEMBL6231719 0.85 HTR2A (0.42) KIF11CHRM2CHRM1CHRM3
SCHEMBL12062332 0.84 HTR1D (0.37) SLC7A5MAOACA1CA2CA9
SCHEMBL6232367 0.83 CHRM2 (0.50) SLC7A5MAOAKIF11CHRM2CHRM1
SCHEMBL21513676 0.83 SLC7A5 (0.39) SLC7A5MAOACA1CA2CA9
SCHEMBL17277356 0.83 SLC7A5 (0.35) SLC7A5CA1CA2CA9KIF11
SCHEMBL6230413 0.82 SLC7A5 (0.49) SLC7A5HRH1MAOAKIF11
SCHEMBL2097292 0.82 SLC7A5 (0.49) SLC7A5HRH1MAOAKIF11

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