SCHEMBL9290388

SCHEMBL9290388

CC#CCn1c(N(C)CC(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
SCHEMBL8273211 0.90 DPP4 (0.49) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8273223 0.89 DPP4 (0.51) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8273199 0.87 DPP4 (0.49) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8273231 0.87 DPP4 (0.45) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8272362 0.87 DPP4 (0.48) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8272012 0.86 DPP4 (0.44) DPP4CHRM1DPP9FAP
SCHEMBL4479698 0.86 DPP4 (0.54) DPP4CHRM1DPP9FAPKCNH2
SCHEMBL4479704 0.86 DPP4 (0.54) DPP4CHRM1DPP9FAPKCNH2
SCHEMBL8273225 0.86 DPP4 (0.43) DPP4CHRM1DPP9FAPPOU2F2
SCHEMBL8271558 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
EP-1797093-B1 NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP disclosed