SCHEMBL16433580

SCHEMBL16433580

CC(F)(F)c1nnc2n1CCN(CCC(N)Cc1cc(F)c(F)cc1F)C2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.55
▸ DPP8 Q6V1X1 9/20 0.55
▸ DPP7 Q9UHL4 4/20 0.55
▸ DPP9 Q86TI2 4/20 0.55
▸ ACE P12821 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ FAP Q12884 1/20 0.55

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
SCHEMBL3697380 0.92 DPP4 (0.65) DPP4DPP8DPP7DPP9ACE
SCHEMBL15206677 0.92 DPP4 (0.65) DPP4DPP8DPP7DPP9ACE
SCHEMBL18624009 0.79 DPP4 (0.85) DPP4DPP8DPP7DPP9ACE
SCHEMBL681952 0.79 DPP4 (0.85) DPP4DPP8DPP7DPP9ACE
SCHEMBL14922003 0.79 DPP4 (0.56) DPP4DPP8DPP7DPP9ACE
SCHEMBL1289271 0.79 DPP4 (0.56) DPP4DPP8DPP7DPP9ACE
SCHEMBL3254241 0.75 DPP4 (0.64) DPP4DPP8DPP7DPP9ACE
SCHEMBL3254233 0.75 DPP4 (0.64) DPP4DPP8DPP7DPP9ACE
SCHEMBL20830389 0.73 DPP4 (0.75) DPP4DPP8DPP7DPP9ACE
SCHEMBL26076680 0.72 DPP4 (0.58) DPP4DPP8DPP7DPP9ACE

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-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
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