SCHEMBL6235330

SCHEMBL6235330

CC=CCn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(CC(=O)c1ccccc1[N+](=O)[O-])c(=O)n2C

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.81
CHRM1 P11229 1/20 0.47

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
SCHEMBL3569708 1.00 DPP4 (0.81) DPP4CHRM1
SCHEMBL3569711 1.00 DPP4 (0.81) DPP4CHRM1
SCHEMBL639365 1.00 DPP4 (0.81) DPP4CHRM1
SCHEMBL1577557 1.00 DPP4 (0.81) DPP4CHRM1
SCHEMBL638924 0.93 DPP4 (0.82) DPP4CHRM1
SCHEMBL555161 0.93 DPP4 (0.82) DPP4CHRM1
SCHEMBL1542117 0.91 DPP4 (0.69) DPP4CHRM1
SCHEMBL3566437 0.90 DPP4 (0.68) DPP4CHRM1
SCHEMBL637440 0.90 DPP4 (0.68) DPP4CHRM1
SCHEMBL637078 0.90 DPP4 (0.68) DPP4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed