SCHEMBL8908698

SCHEMBL8908698

Cc1cn2c(C(NCCCCCNS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C)cccc2n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
NPY5R Q15761 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
IDO1 P14902 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL8910484 0.77 IDO1 (0.33) IDO1
SCHEMBL7868751 0.76 CA14 (0.35) EPHX1NPY5R
SCHEMBL7871566 0.75 CA14 (0.35) IDO1CNR1CNR2
SCHEMBL7872292 0.72 EPHX1 (0.37) EPHX1NPY5RIDO1CNR1CNR2
SCHEMBL7875500 0.63 CA14 (0.35) EPHX1NPY5RIDO1CNR1CNR2
SCHEMBL7863583 0.62 CA14 (0.36) EPHX1NPY5RIDO1CNR1CNR2
SCHEMBL7871683 0.62 EPHX1 (0.40) EPHX1NPY5RIDO1CNR1CNR2
SCHEMBL21578136 0.61 KDM4A (0.42)
SCHEMBL7870267 0.61 NPY5R (0.39) EPHX1NPY5RALDH1A1IDO1CNR1
SCHEMBL7875564 0.61 EPHX1 (0.39) EPHX1NPY5RIDO1CNR1CNR2

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-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 WO disclosed