SCHEMBL8262005

SCHEMBL8262005

N#CC1CC(F)CN1C(=O)CNC12CC3=CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.67
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 1/20 0.46
PREP P48147 1/20 0.43
DPP7 Q9UHL4 1/20 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
SCHEMBL12187043 0.83 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL8255595 0.83 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL8261997 0.83 DPP4 (0.43) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5207185 0.80 DPP4 (0.97) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6166027 0.80 DPP4 (0.97) DPP4DPP8DPP9
SCHEMBL5802541 0.74 DPP4 (0.80) DPP4DPP8DPP9
SCHEMBL465003 0.74 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL5805098 0.74 DPP4 (0.80) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5207169 0.74 DPP4 (0.98) DPP4DPP8DPP9
SCHEMBL3928203 0.73 DPP4 (0.78) DPP4DPP8DPP9

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-2006090244-A1 NEW ADAMANTANE DERIVATIVES AS DIPEPTIDYL, PEPTIDASE IV INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2006-08-31 WO disclosed