SCHEMBL14478239

SCHEMBL14478239

C[C@@H](N)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.61
SCN10A Q9Y5Y9 2/20 0.55
TAAR1 Q96RJ0 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 1/20 0.50
ACACB O00763 1/20 0.49
EPHX1 P07099 1/20 0.49

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
SCHEMBL14478297 1.00 SLC6A4 (0.61) SLC6A4SCN10ATAAR1SLC6A2SLC6A3
SCHEMBL14944878 0.87 SLC6A4 (0.59) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL14478249 0.86 SLC6A4 (0.58) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL1912504 0.85 ACACB (0.51) SLC6A4SCN10ASLC6A2SLC6A3ACACB
SCHEMBL22341178 0.84 EPHX2 (0.66) ACACBEPHX1
SCHEMBL19015929 0.83 SLC6A4 (0.63) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL1416925 0.81 ACACB (0.52) SLC6A4ACACBEPHX1
SCHEMBL20821070 0.81 ACACB (0.49) SLC6A4SCN10ASLC6A2SLC6A3ACACB
SCHEMBL25509116 0.81 ACACB (0.49) SLC6A4SCN10ASLC6A2SLC6A3ACACB
SCHEMBL14478257 0.81 TAAR1 (0.65) SLC6A4TAAR1SLC6A2SLC6A3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed