SCHEMBL23865129

SCHEMBL23865129

NCc1ccc(CCc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
MAOB P27338 4/20 0.47
DAO P14920 5/20 0.43
IDO1 P14902 2/20 0.40
AOC3 Q16853 1/20 0.39
MIF P14174 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL24075223 0.81 DAO (0.49) TAAR1MAOBDAOAOC3
SCHEMBL23865166 0.80 LOXL2 (0.39) TAAR1MAOBIDO1
SCHEMBL19430923 0.78 IDO1 (0.44) TAAR1MAOBDAOIDO1AOC3
SCHEMBL23865172 0.78 PTPN7 (0.45) MAOB
SCHEMBL17654431 0.77 KIF11 (0.47) TAAR1MAOBDAOAOC3MIF
SCHEMBL4550353 0.76 LOXL2 (0.41) TAAR1MAOBIDO1
SCHEMBL17654672 0.76 GRIN2B (0.41) TAAR1MAOBDAOIDO1AOC3
SCHEMBL23865007 0.75 ESRRG (0.41) TAAR1DAOAOC3
SCHEMBL22483294 0.75 GRIN2B (0.43) TAAR1MAOBDAOIDO1AOC3
SCHEMBL108337 0.74 TAAR1 (0.67) TAAR1MAOBIDO1

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
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed