SCHEMBL5015403

SCHEMBL5015403

COCOc1cc(F)ccc1-c1cc(-c2cccc(C(=O)NCCNC(=O)O)c2)c(C#N)c(NC(=O)c2cccs2)n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.58

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
SCHEMBL5015409 0.93 KISS1R (0.65) KISS1R
SCHEMBL4206414 0.92 KISS1R (0.65) KISS1R
SCHEMBL4204212 0.91 KISS1R (0.59) KISS1R
SCHEMBL5014028 0.90 KISS1R (0.63) KISS1R
SCHEMBL4203447 0.90 KISS1R (0.53) KISS1R
SCHEMBL5017443 0.88 KISS1R (0.72) KISS1R
SCHEMBL4212054 0.87 KISS1R (0.53) KISS1R
SCHEMBL4210166 0.87 KISS1R (0.66) KISS1R
SCHEMBL5017424 0.86 KISS1R (0.64) KISS1R
SCHEMBL4210388 0.85 KISS1R (0.73) 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