SCHEMBL5014940

SCHEMBL5014940

C[CH]CC(=O)Nc1cccc(-c2cc(-c3ccc(Cl)cc3OCOC)nc(NC(=O)c3nccs3)c2C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.53

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
SCHEMBL5014942 0.92 KISS1R (0.56) KISS1R
SCHEMBL4216375 0.87 KISS1R (0.49) KISS1R
SCHEMBL5014944 0.87 KISS1R (0.48) KISS1R
SCHEMBL4220866 0.86 KISS1R (0.50) KISS1R
SCHEMBL4197286 0.85 KISS1R (0.48) KISS1R
SCHEMBL4197460 0.85 KISS1R (0.48) KISS1R
SCHEMBL4210593 0.85 KISS1R (0.45) KISS1R
SCHEMBL5017479 0.83 KISS1R (0.46) KISS1R
SCHEMBL5014016 0.83 KISS1R (0.47) KISS1R
SCHEMBL4209131 0.81 KISS1R (0.45) 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