SCHEMBL7988401

SCHEMBL7988401

CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.48
ESR2 Q92731 1/20 0.47
PREP P48147 3/20 0.46
PTPN1 P18031 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
DPP8 Q6V1X1 2/20 0.43
FAP Q12884 2/20 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
SCHEMBL7988406 1.00 DPP4 (0.48) DPP4ESR2PREPPTPN1HDAC8
SCHEMBL7977842 0.89 DPP4 (0.64) DPP4PREPPTPN1HDAC8DPP8
SCHEMBL7995839 0.89 DPP4 (0.64) DPP4PREPPTPN1HDAC8DPP8
SCHEMBL7995229 0.88 PREP (0.56) DPP4PREPDPP8FAP
SCHEMBL7995226 0.88 PREP (0.56) DPP4PREPDPP8FAP
SCHEMBL7989792 0.85 DPP4 (0.51) DPP4PREPHDAC8DPP8
SCHEMBL7989711 0.85 DPP4 (0.51) DPP4PREPHDAC8DPP8
SCHEMBL864877 0.85 DPP4 (0.50) DPP4PREPPTPN1HDAC8DPP8
SCHEMBL7989672 0.85 HDAC8 (0.50) DPP4PREPHDAC8FAP
SCHEMBL7992048 0.85 DPP4 (0.50) DPP4PREPPTPN1HDAC8DPP8

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
US-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed