SCHEMBL22384166

SCHEMBL22384166

CC(C)(C)OC(O)C1CN(C(=O)[C@H](Cc2ccc(-c3ncc(-c4ccc(O)cc4F)cn3)cc2)NC(=O)c2ccc(C(C)(C)C)s2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
HPGDS O60760 1/20 0.32
DPP4 P27487 1/20 0.31
FEN1 P39748 2/20 0.30
ALOX5AP P20292 1/20 0.30
SRC P12931 1/20 0.30
F10 P00742 1/20 0.30
TMPRSS6 Q8IU80 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30

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
SCHEMBL22384190 0.91 KIFC1 (0.33) FEN1ALOX5AP
SCHEMBL17968893 0.89 PYGL (0.35) ITGB3ITGA2BHPGDSDPP4FEN1
SCHEMBL17968892 0.89 PYGL (0.35) ITGB3ITGA2BHPGDSDPP4FEN1
SCHEMBL22384132 0.89 ACACB (0.33) ITGB3ITGA2BHPGDSDPP4FEN1
SCHEMBL17834409 0.89 ACACB (0.33) ITGB3ITGA2BHPGDSDPP4FEN1
SCHEMBL22384234 0.84 LY96 (0.40) HPGDSFEN1ALOX5AP
SCHEMBL17834723 0.84 LY96 (0.40) HPGDSFEN1ALOX5AP
SCHEMBL17825511 0.84 KIFC1 (0.41) ITGB3ITGA2BHPGDSFEN1ALOX5AP
SCHEMBL17968845 0.84 KIFC1 (0.41) ITGB3ITGA2BHPGDSFEN1ALOX5AP
SCHEMBL22384079 0.83 FEN1 (0.34) HPGDSFEN1ALOX5AP

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed