SCHEMBL5015337

SCHEMBL5015337

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

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.68

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
SCHEMBL5015336 0.92 KISS1R (0.68) KISS1R
SCHEMBL5014939 0.91 KISS1R (0.61) KISS1R
SCHEMBL5015333 0.89 KISS1R (0.66) KISS1R
SCHEMBL4204527 0.89 KISS1R (0.63) KISS1R
SCHEMBL4206396 0.86 KISS1R (0.64) KISS1R
SCHEMBL4208047 0.84 KISS1R (0.57) KISS1R
SCHEMBL5017456 0.83 KISS1R (0.58) KISS1R
SCHEMBL5015325 0.82 KISS1R (0.84) KISS1R
SCHEMBL5023347 0.81 KISS1R (0.51) KISS1R
SCHEMBL5015403 0.81 KISS1R (0.58) 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