SCHEMBL5015501

SCHEMBL5015501

COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2O)cc(-c2cccc(N[C@](C)(N)C=O)c2)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.59

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
Hydrochloric Acid SCHEMBL4210305 0.99 KISS1R (0.59) KISS1R
Hydrochloric Acid SCHEMBL4215984 0.92 KISS1R (0.58) KISS1R
Hydrochloric Acid SCHEMBL4204588 0.86 KISS1R (0.51) KISS1R
SCHEMBL5014010 0.85 KISS1R (0.73) KISS1R
Hydrochloric Acid SCHEMBL4205449 0.85 KISS1R (0.72) KISS1R
SCHEMBL5015443 0.85 KISS1R (0.53) KISS1R
SCHEMBL5015495 0.85 KISS1R (0.71) KISS1R
SCHEMBL5015506 0.85 KISS1R (0.60) KISS1R
Hydrochloric Acid SCHEMBL4206373 0.84 KISS1R (0.72) KISS1R
Hydrochloric Acid SCHEMBL4210160 0.84 KISS1R (0.54) KISS1R

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-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed