SCHEMBL8304854

SCHEMBL8304854

CN[C@@H]1CCCN(c2nc3nn(C)nc3c(=O)n2Cc2ccccc2C#N)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
FAP Q12884 1/20 0.55
CYP3A4 P08684 3/20 0.54

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
SCHEMBL3428451 0.89 DPP4 (0.72) DPP4FAPCYP3A4
SCHEMBL3428452 0.89 DPP4 (0.72) DPP4FAPCYP3A4
SCHEMBL15026113 0.75 DPP4 (0.78) DPP4
SCHEMBL14838562 0.75 DPP4 (0.78) DPP4
SCHEMBL3427243 0.73 DPP4 (0.79) DPP4FAPCYP3A4
SCHEMBL3427975 0.73 DPP4 (0.70) DPP4FAPCYP3A4
SCHEMBL3427972 0.73 DPP4 (0.70) DPP4FAPCYP3A4
SCHEMBL3423939 0.73 DPP4 (0.70) DPP4CYP3A4
SCHEMBL8236545 0.73 DPP4 (0.70) DPP4CYP3A4
SCHEMBL3424634 0.73 KMT2A (0.46) DPP4FAPCYP3A4

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-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO disclosed