SCHEMBL8268286

SCHEMBL8268286

CC#CCn1c(Br)nc2c1c(=O)n(Cc1ncccc1N)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.49
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.43
DPP9 Q86TI2 1/20 0.43
FAP Q12884 3/20 0.42
CHRM1 P11229 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL497449 0.87 DPP4 (0.50) DPP4GAARAB9ALMNATSHR
SCHEMBL638215 0.83 DPP4 (0.55) DPP4RAB9AFAPCHRM1SMN1; SMN2
SCHEMBL20041920 0.83 DPP4 (0.66) DPP4RAB9ADPP9LMNATSHR
SCHEMBL8273204 0.83 DPP4 (0.45) DPP4DPP9FAPCHRM1
SCHEMBL8272012 0.81 DPP4 (0.44) DPP4DPP9FAPCHRM1
SCHEMBL8273201 0.81 DPP4 (0.44) DPP4DPP9FAPCHRM1
SCHEMBL20041950 0.81 DPP4 (0.63) DPP4GAARAB9ADPP9FAP
SCHEMBL3917633 0.81 DPP4 (0.54) DPP4GAARAB9ADPP9FAP
SCHEMBL3918551 0.78 DPP4 (0.51) DPP4RAB9ADPP9FAPCHRM1
SCHEMBL637987 0.78 DPP4 (0.64) DPP4RAB9ADPP9FAPCHRM1

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-2006048427-A1 METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO disclosed