SCHEMBL2918142

SCHEMBL2918142

CC#CCn1c(N2CCC[C@@H](N)C2)nc2c(=O)[nH]n(Cc3nc(C)c4ccccc4n3)c(=O)c21

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76
CHRM1 P11229 3/20 0.76
FAP Q12884 3/20 0.70
POU2F2 P09086 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
POU2F1 P14859 1/20 0.70
CHRM3 P20309 1/20 0.70
HRH2 P25021 1/20 0.70
MC4R P32245 1/20 0.70
DPP8 Q6V1X1 1/20 0.70
DPP9 Q86TI2 1/20 0.70
GHSR Q92847 1/20 0.70
KCNH2 Q12809 1/20 0.59

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
SCHEMBL4813348 0.87 DPP4 (0.78) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5842437 0.87 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL4813357 0.87 DPP4 (0.78) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5842422 0.87 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8351902 0.84 DPP4 (0.88) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL4808547 0.84 DPP4 (0.74) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL4808537 0.84 DPP4 (0.74) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL196653 0.82 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
Linagliptin SCHEMBL17124941 0.82 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL196652 0.82 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3

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-2023902-B1 DPP IV INHIBITOR FORMULATIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-08 EP claimed