SCHEMBL8273199

SCHEMBL8273199

CC#CCn1c(N(C)CC(C)(C)N)nc2c1c(=O)n(Cc1ncc(N)c3ccccc13)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.49
CHRM1 P11229 2/20 0.41
DPP9 Q86TI2 2/20 0.40
FAP Q12884 4/20 0.40
POU2F2 P09086 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
POU2F1 P14859 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH2 P25021 1/20 0.39
MC4R P32245 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
GHSR Q92847 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9290265 0.90 DPP4 (0.49) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8272023 0.90 DPP4 (0.46) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8273223 0.89 DPP4 (0.51) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL9290388 0.87 DPP4 (0.49) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8273198 0.87 DPP4 (0.48) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8273201 0.86 DPP4 (0.44) DPP4CHRM1DPP9FAP
SCHEMBL9290264 0.86 DPP4 (0.54) DPP4CHRM1DPP9FAPKCNH2
SCHEMBL8273195 0.85 DPP4 (0.45) DPP4DPP9FAP
SCHEMBL8273219 0.85 DPP4 (0.45) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8273227 0.85 DPP4 (0.46) DPP4CHRM1DPP9FAPPOU2F2

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-2006029769-A1 NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 WO disclosed