SCHEMBL9637439

SCHEMBL9637439

CNC(CC(Oc1ccc(OC(F)(F)F)cc1)c1ccccc1)OP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.47
SLC6A4 P31645 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
NPC1 O15118 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MTOR P42345 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 2/20 0.45
HTR2C P28335 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KCNK2 O95069 2/20 0.45
KCNH2 Q12809 2/20 0.45
CACNA1C Q13936 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45

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
Phosphoric Acid SCHEMBL9637431 0.78 SLC6A4 (0.66) SLC7A5SLC6A4MEN1KMT2ALMNA
SCHEMBL3752 0.76 SLC6A2 (0.37) SLC6A4SLC6A2CHRM1
SCHEMBL3942629 0.74 SLC7A5 (0.53) SLC7A5SLC6A4MEN1KMT2ALMNA
SCHEMBL16347642 0.69 SLC6A9 (0.47) SLC6A4MEN1KMT2ALMNASLC6A2
Fluoxetine SCHEMBL9715830 0.69 SLC6A4 (0.86) SLC7A5SLC6A4MEN1KMT2ALMNA
SCHEMBL6006291 0.68 SLC7A5 (0.68) SLC7A5SLC6A4MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9500934 0.66 SLC6A4 (0.74) SLC7A5SLC6A4MEN1KMT2ALMNA
SCHEMBL9411503 0.65 SLC6A2 (0.33) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL4739538 0.65 SLC6A9 (0.52) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL17267554 0.65 SLC7A5 (1.00) SLC7A5SLC6A4MEN1KMT2ALMNA

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-0336753-B1 IMPROVEMENTS IN OR RELATING TO PROPANAMINE DERIVATIVES ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
EP-0336753-A1 Improvements in or relating to propanamine derivatives ELI LILLY AND COMPANY (US) 1989-10-11 EP disclosed