SCHEMBL4657207

SCHEMBL4657207

CC(CC(=O)N1CCNC[C@H]1Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.60
DPP7 Q9UHL4 3/20 0.58
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 4/20 0.48
POLB P06746 1/20 0.45
REN P00797 1/20 0.45
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3504324 1.00 DPP4 (0.60) DPP4DPP7CA1CA2CA4
SCHEMBL3504330 1.00 DPP4 (0.60) DPP4DPP7CA1CA2CA4
SCHEMBL3507073 1.00 DPP4 (0.60) DPP4DPP7CA1CA2CA4
SCHEMBL3505724 0.89 DPP4 (0.64) DPP4DPP7CA1CA2CA4
SCHEMBL3505719 0.89 DPP4 (0.64) DPP4DPP7CA1CA2CA4
SCHEMBL3504750 0.81 DPP4 (0.55) DPP4DPP7CA1CA2CA4
SCHEMBL3504752 0.81 DPP4 (0.55) DPP4DPP7CA1CA2CA4
SCHEMBL590923 0.80 CA1 (0.62) DPP4DPP7CA1CA2CA4
SCHEMBL28045116 0.80 CA1 (0.62) DPP4DPP7CA1CA2CA4
SCHEMBL12398794 0.80 DPP4 (0.55) DPP4DPP7CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999117-A2 RENIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP claimed
WO-2007117961-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 WO claimed
EP-1999117-A2 RENIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP disclosed
WO-2007117961-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 WO disclosed