SCHEMBL8215736

SCHEMBL8215736

CCn1c(N2CCC[C@@H](N)C2)c(O)c2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
KCNH2 Q12809 6/20 0.68
FAP Q12884 4/20 0.67
CHRM1 P11229 3/20 0.62
POU2F2 P09086 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
POU2F1 P14859 1/20 0.62
CHRM3 P20309 1/20 0.62
HRH2 P25021 1/20 0.62
MC4R P32245 1/20 0.62
DPP8 Q6V1X1 1/20 0.62
DPP9 Q86TI2 1/20 0.62
GHSR Q92847 1/20 0.62

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
SCHEMBL8205499 0.94 DPP4 (0.69) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL12047716 0.91 DPP4 (0.82) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8215871 0.91 DPP4 (0.66) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8214770 0.90 DPP4 (0.65) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8212999 0.89 DPP4 (0.66) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8212770 0.89 DPP4 (0.85) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8213508 0.88 DPP4 (0.63) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8214967 0.88 DPP4 (0.63) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8213190 0.88 DPP4 (0.63) DPP4KCNH2FAPCHRM1POU2F2
SCHEMBL8212922 0.88 DPP4 (0.63) DPP4KCNH2FAPCHRM1POU2F2

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-2008017670-A1 PYRROLO [3, 2 -D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed