SCHEMBL5023345

SCHEMBL5023345

COCOc1cc(Cl)ccc1-c1cc(-c2cccc(C(=O)NCCNC(=O)O)c2)c(C#N)c(NC(=O)c2ccccc2OC)n1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 17/20 0.63
GRM5 P41594 1/20 0.40
CFTR P13569 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5017433 0.95 KISS1R (0.56) KISS1R
SCHEMBL5013999 0.93 KISS1R (0.54) KISS1R
SCHEMBL4200482 0.92 KISS1R (0.59) KISS1RGRM5
SCHEMBL4197534 0.90 KISS1R (0.58) KISS1RGRM5
SCHEMBL5023422 0.89 KISS1R (0.53) KISS1R
SCHEMBL5023419 0.87 KISS1R (0.58) KISS1R
SCHEMBL4206558 0.87 KISS1R (0.57) KISS1R
SCHEMBL5017479 0.86 KISS1R (0.46) KISS1R
SCHEMBL5013998 0.86 KISS1R (0.60) KISS1R
SCHEMBL4199932 0.85 KISS1R (0.52) 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