SCHEMBL8080941

SCHEMBL8080941

C[C@H]1CCC(CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC(F)C2)N1C(=O)c1ccncc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
ITGB3 P05106 6/20 0.34
ITGA2B P08514 6/20 0.34
GPR119 Q8TDV5 3/20 0.34
KMT2A Q03164 2/20 0.34
PABPC1 P11940 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL3738668 0.79 PREP (0.37) PREPFAPGPR119
SCHEMBL8094578 0.72 ITGAV (0.37) ITGB3ITGA2BMAPK1SCN9A
SCHEMBL3738694 0.69 PREP (0.38) PREPFAPGPR119
SCHEMBL14736900 0.68 CTSK (0.50) POLBITGB3ITGA2B
SCHEMBL6384976 0.66 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL6384973 0.66 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL8093405 0.65 DPP4 (0.43) PREPFAP
SCHEMBL14737633 0.65 CTSK (0.41) POLBITGB3ITGA2BALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3741707 0.65 DPP4 (0.41)
SCHEMBL30333846 0.63 POLB (0.45) POLBPREPFAPKMT2A

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
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO disclosed