SCHEMBL5023364

SCHEMBL5023364

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.48
CHUK O15111 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
KISS1R Q969F8 3/20 0.43

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
SCHEMBL4210782 0.92 IKBKB (0.46) IKBKBCHUKNPSR1KISS1R
SCHEMBL5014960 0.86 KISS1R (0.51) KISS1R
SCHEMBL5015005 0.86 KISS1R (0.62) KISS1R
SCHEMBL5014023 0.86 KISS1R (0.47) KISS1R
SCHEMBL4210784 0.81 IKBKB (0.48) IKBKBCHUKKISS1R
SCHEMBL4210537 0.80 IKBKB (0.57) IKBKBCHUKKISS1R
SCHEMBL5014022 0.80 KISS1R (0.45) KISS1R
SCHEMBL4207860 0.79 KISS1R (0.49) KISS1R
SCHEMBL4212677 0.79 KISS1R (0.59) KISS1R
SCHEMBL5015334 0.79 KISS1R (0.54) 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