SCHEMBL6380848

SCHEMBL6380848

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.58
CHRM1 P11229 2/20 0.57
FAP Q12884 5/20 0.53
DPP9 Q86TI2 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46

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
Acetic Acid Methyl Ester SCHEMBL5719471 0.90 DPP4 (0.52) DPP4CHRM1FAPDPP9ALDH1A1
SCHEMBL5719272 0.88 DPP4 (0.74) DPP4CHRM1FAPDPP9ALDH1A1
Hydrochloric Acid SCHEMBL6380586 0.86 DPP4 (0.64) DPP4CHRM1FAPDPP9
Hydrochloric Acid SCHEMBL6383664 0.85 DPP4 (0.58) DPP4CHRM1FAPDPP9
SCHEMBL5719236 0.84 DPP4 (0.59) DPP4CHRM1FAPDPP9ALDH1A1
Trifluoroacetic Acid SCHEMBL5718861 0.84 DPP4 (0.68) DPP4CHRM1FAPDPP9ALDH1A1
SCHEMBL5773736 0.84 DPP4 (0.61) DPP4CHRM1FAPDPP9ALDH1A1
SCHEMBL6380855 0.83 DPP4 (0.73) DPP4FAPDPP9ALDH1A1
Trifluoroacetic Acid SCHEMBL5719474 0.82 DPP4 (0.54) DPP4CHRM1FAPDPP9ALDH1A1
Hydrochloric Acid SCHEMBL6386225 0.82 DPP4 (0.53) DPP4CHRM1FAPDPP9ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP claimed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed