SCHEMBL5017428

SCHEMBL5017428

COCOc1ccccc1-c1cc(-c2ccc(OC)c(C(=O)NCCNC(=O)O)c2)c(C#N)c(NC(=O)c2cccs2)n1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.52

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
SCHEMBL4211031 0.92 KISS1R (0.56) KISS1R
SCHEMBL5136062 0.91 KISS1R (0.50) KISS1R
SCHEMBL4217423 0.91 KISS1R (0.53) KISS1R
SCHEMBL5017424 0.90 KISS1R (0.64) KISS1R
SCHEMBL5014999 0.90 KISS1R (0.63) KISS1R
SCHEMBL4217598 0.90 KISS1R (0.47) KISS1R
SCHEMBL5015409 0.89 KISS1R (0.65) KISS1R
SCHEMBL5014028 0.86 KISS1R (0.63) KISS1R
SCHEMBL4217888 0.85 KISS1R (0.61) KISS1R
SCHEMBL4205801 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