SCHEMBL9977783

SCHEMBL9977783

C=C(N)N1CCC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NAMPT P43490 1/20 0.31

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
SCHEMBL9977795 0.77 DPP4 (0.49) DPP4DPP7NAMPT
Hydrochloric Acid SCHEMBL30806948 0.76 DPP4 (0.40) DPP4DPP7NAMPT
SCHEMBL20221436 0.74 DPP4 (0.46) DPP4DPP7NAMPT
SCHEMBL3116395 0.73 DPP4 (0.45) DPP4DPP7NAMPT
SCHEMBL15701184 0.70 DPP4 (0.46) DPP4DPP7NAMPT
SCHEMBL4830838 0.70 DPP4 (0.46) DPP4DPP7NAMPT
SCHEMBL18191028 0.70 DPP4 (0.36) DPP4DPP7NAMPT
SCHEMBL14655434 0.70 DPP4 (0.43) DPP4DPP7NAMPT
SCHEMBL17108509 0.70 DPP4 (0.40) DPP4DPP7NAMPT
SCHEMBL21535118 0.69 CNR2 (0.33) DPP4DPP7

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-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed