SCHEMBL14148451

SCHEMBL14148451

CCn1c(N2CCC[C@@H](N)C2)nc2c(=O)n(C)n(Cc3cccc4ccccc34)c(=O)c21

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
CYP3A4 P08684 2/20 0.51

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
SCHEMBL4805190 0.89 DPP4 (0.73) DPP4
SCHEMBL4805180 0.89 DPP4 (0.73) DPP4
SCHEMBL14045473 0.87 DPP4 (0.82) DPP4CYP3A4
SCHEMBL8283965 0.85 DPP4 (0.62) DPP4
SCHEMBL8283962 0.84 DPP4 (0.63) DPP4
SCHEMBL8284557 0.84 DPP4 (0.60) DPP4CYP3A4
SCHEMBL8354321 0.83 DPP4 (0.81) DPP4CYP3A4
SCHEMBL8284573 0.81 DPP4 (0.57) DPP4
SCHEMBL14148871 0.81 DPP4 (0.60) DPP4CYP3A4
SCHEMBL14045482 0.81 DPP4 (0.62) DPP4CYP3A4

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-7393847-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2008-07-01 US disclosed