SCHEMBL4658385

SCHEMBL4658385

CCCCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1cccc3oc(=O)n(C)c13)c(=O)n2C1CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.52
CHRM1 P11229 5/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3548137 0.89 DPP4 (0.66) DPP4CHRM1
SCHEMBL3548133 0.89 DPP4 (0.66) DPP4CHRM1
SCHEMBL638643 0.83 DPP4 (0.74) DPP4CHRM1
SCHEMBL638399 0.83 DPP4 (0.73) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL638642 0.83 DPP4 (0.74) DPP4CHRM1
SCHEMBL3551601 0.79 DPP4 (0.68) DPP4CHRM1CHRM3
SCHEMBL3551598 0.79 DPP4 (0.68) DPP4CHRM1CHRM3
SCHEMBL3551368 0.77 DPP4 (0.70) DPP4CHRM1
SCHEMBL5842625 0.73 DPP4 (0.71) DPP4CHRM1
SCHEMBL5842641 0.73 DPP4 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720875-B1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-12-10 EP disclosed