SCHEMBL5017537

SCHEMBL5017537

CCCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3OCOC)nc(NC(=O)c3ccno3)c2C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.57

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
SCHEMBL5014945 0.93 KISS1R (0.51) KISS1R
SCHEMBL5017535 0.92 KISS1R (0.54) KISS1R
SCHEMBL4208834 0.88 KISS1R (0.49) KISS1R
SCHEMBL4211650 0.86 KISS1R (0.56) KISS1R
SCHEMBL4215266 0.85 KISS1R (0.46) KISS1R
SCHEMBL5015358 0.85 KISS1R (0.51) KISS1R
SCHEMBL5014944 0.85 KISS1R (0.48) KISS1R
SCHEMBL5014960 0.84 KISS1R (0.51) KISS1R
SCHEMBL4203944 0.84 KISS1R (0.70) KISS1R
SCHEMBL5015361 0.83 KISS1R (0.71) 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