SCHEMBL8655476

SCHEMBL8655476

NCCCC(c1ccc(OC(F)(F)F)cc1)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KIF11 P52732 1/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
SCN10A Q9Y5Y9 7/20 0.34
FAAH O00519 3/20 0.34
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
SCHEMBL8655785 0.84 CYP19A1 (0.41) HTR2AHRH1KIF11MAOBAOC3
SCHEMBL8653269 0.82 CYP19A1 (0.42) HTR2AHRH1
SCHEMBL8653385 0.79 HRH1 (0.41) HTR2AHRH1
SCHEMBL2469476 0.78 NPC1 (0.48) SLC7A5NPC1RAB9AABL1TTBK1
SCHEMBL8653581 0.72 AOC3 (0.40) HTR2AHRH1FAAHMAOBAOC3
SCHEMBL7762331 0.72 HRH1 (0.42) HTR2AHRH1
SCHEMBL9659736 0.71 HRH1 (0.55) HTR2AHRH1
SCHEMBL2093778 0.70 SLC7A5 (0.52) SLC7A5KIF11SCN10AMAOBAOC3
SCHEMBL7908696 0.69 CYP19A1 (0.42)
SCHEMBL8654782 0.68 ADRA2A (0.39) HTR2AHRH1MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed