SCHEMBL5014960

SCHEMBL5014960

COCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)O)c2)c(C#N)c(NC(=O)c2ccno2)n1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.51

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
SCHEMBL5014022 0.94 KISS1R (0.45) KISS1R
SCHEMBL4207860 0.93 KISS1R (0.49) KISS1R
SCHEMBL5015005 0.92 KISS1R (0.62) KISS1R
SCHEMBL5014023 0.89 KISS1R (0.47) KISS1R
SCHEMBL5023364 0.86 IKBKB (0.48) KISS1R
SCHEMBL4199530 0.86 KISS1R (0.43) KISS1R
SCHEMBL5015334 0.85 KISS1R (0.54) KISS1R
SCHEMBL4212677 0.85 KISS1R (0.59) KISS1R
SCHEMBL5017537 0.84 KISS1R (0.57) KISS1R
SCHEMBL4207862 0.83 KISS1R (0.46) 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