SCHEMBL8284591

SCHEMBL8284591

CC#CCn1c(N2CCCC(N)C2)nc2c(=O)n(CN)n(Cc3nc(C)cc4ccccc34)c(=O)c21

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76
CHRM1 P11229 2/20 0.70

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
SCHEMBL4813710 0.93 DPP4 (0.74) DPP4CHRM1
SCHEMBL4808495 0.93 DPP4 (0.74) DPP4CHRM1
SCHEMBL4813194 0.93 DPP4 (0.78) DPP4CHRM1
SCHEMBL4813200 0.93 DPP4 (0.78) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL4805666 0.87 DPP4 (0.69) DPP4CHRM1
SCHEMBL8283382 0.86 DPP4 (0.57) DPP4CHRM1
SCHEMBL5840745 0.86 DPP4 (1.00) DPP4CHRM1
SCHEMBL5840752 0.86 DPP4 (1.00) DPP4CHRM1
SCHEMBL14045562 0.85 DPP4 (0.62) DPP4CHRM1
SCHEMBL14045529 0.83 DPP4 (0.59) 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
WO-2005087774-A1 IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed