SCHEMBL5364765

SCHEMBL5364765

CC#CCn1c(N2CCCNCC2)nc2cnn(Cc3ccc4c(c3)nnn4C)c(=O)c21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.60
CHRM1 P11229 5/20 0.60
FAP Q12884 4/20 0.48

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
SCHEMBL5361014 0.97 DPP4 (0.58) DPP4CHRM1FAP
SCHEMBL8278521 0.86 DPP4 (0.64) DPP4CHRM1
SCHEMBL5354009 0.85 DPP4 (0.63) DPP4CHRM1FAP
SCHEMBL5370066 0.82 DPP4 (0.62) DPP4CHRM1FAP
SCHEMBL5364466 0.82 DPP4 (0.66) DPP4CHRM1FAP
SCHEMBL5358438 0.82 DPP4 (0.39) DPP4CHRM1FAP
SCHEMBL5366092 0.82 DPP4 (0.61) DPP4CHRM1FAP
SCHEMBL6381749 0.80 DPP4 (0.75) DPP4CHRM1FAP
SCHEMBL5358919 0.80 DPP4 (0.64) DPP4CHRM1FAP
SCHEMBL13200756 0.80 DPP4 (0.64) DPP4CHRM1FAP

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-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US disclosed