SCHEMBL5685495

SCHEMBL5685495

COc1c(OCCCNCCCc2ccccc2)cccc1[C@@H]1O[C@@H](CC(=O)NCc2ccccc2)C(=O)N(CC(C)(C)C)c2ccc(Cl)cc21

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.63

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
SCHEMBL5685492 1.00 FDFT1 (0.63) FDFT1
SCHEMBL5685499 1.00 FDFT1 (0.63) FDFT1
Hydrochloric Acid SCHEMBL4287414 0.99 FDFT1 (0.62) FDFT1
Hydrochloric Acid SCHEMBL4287387 0.99 FDFT1 (0.62) FDFT1
Hydrochloric Acid SCHEMBL4287408 0.99 FDFT1 (0.62) FDFT1
Hydrochloric Acid SCHEMBL4290081 0.95 FDFT1 (0.64) FDFT1
Hydrochloric Acid SCHEMBL4290073 0.95 FDFT1 (0.64) FDFT1
Hydrochloric Acid SCHEMBL4290070 0.95 FDFT1 (0.64) FDFT1
SCHEMBL5687820 0.95 FDFT1 (0.62) FDFT1
SCHEMBL5687801 0.95 FDFT1 (0.62) FDFT1

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-1623710-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2006-02-08 EP disclosed