SCHEMBL5014965

SCHEMBL5014965

COCOc1cc(Cl)ccc1-c1cc(-c2cccc(C(=O)NCC(C)(C)CNC(=O)O)c2)c(C#N)c(NC(=O)c2ccco2)n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.61

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
SCHEMBL5023419 0.92 KISS1R (0.58) KISS1R
SCHEMBL4200692 0.91 KISS1R (0.57) KISS1R
SCHEMBL4199999 0.90 KISS1R (0.54) KISS1R
SCHEMBL4215075 0.88 KISS1R (0.58) KISS1R
SCHEMBL5015357 0.87 KISS1R (0.69) KISS1R
SCHEMBL4203066 0.85 KISS1R (0.53) KISS1R
SCHEMBL5014021 0.84 KISS1R (0.62) KISS1R
SCHEMBL4208182 0.84 KISS1R (0.67) KISS1R
SCHEMBL4211221 0.83 KISS1R (0.64) KISS1R
SCHEMBL4208800 0.83 KISS1R (0.49) 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