SCHEMBL764604

SCHEMBL764604

CC(C)(C)OC(=O)NC1CNC(=O)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 17/20 0.47
FPR2 P25090 12/20 0.47
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL12284519 1.00 FPR1 (0.47) FPR1FPR2EPHX2NFKB1NFKB2
SCHEMBL12665948 1.00 FPR1 (0.47) FPR1FPR2EPHX2NFKB1NFKB2
SCHEMBL12284238 0.88 FPR1 (0.53) FPR1FPR2EPHX2
SCHEMBL19988711 0.88 FPR1 (0.61) FPR1FPR2EPHX2
SCHEMBL764675 0.88 FPR1 (0.53) FPR1FPR2EPHX2
SCHEMBL12665952 0.88 FPR1 (0.53) FPR1FPR2EPHX2
SCHEMBL20001295 0.85 FPR1 (0.66) FPR1FPR2
SCHEMBL19988417 0.85 FPR1 (0.66) FPR1FPR2
SCHEMBL170772 0.84 KDM1A (0.39) FPR1FPR2EPHX2NFKB1NFKB2
SCHEMBL462830 0.84 KDM1A (0.39) FPR1FPR2EPHX2NFKB1NFKB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921917-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
EP-1819674-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
WO-2007070434-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-4 INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007024993-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-03-01 WO disclosed
WO-2006058064-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-06-01 WO disclosed