SCHEMBL21824940

SCHEMBL21824940

N#Cc1ccc(O[C@@H]2CCN(C(=O)O)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP8 Q6V1X1 1/20 0.48
HSD11B1 P28845 6/20 0.45
PRKAA2 P54646 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HSD11B2 P80365 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DGAT1 O75907 1/20 0.40
IP6K1 Q92551 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
USP30 Q70CQ3 1/20 0.40
HMOX1 P09601 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL21825062 1.00 DPP4 (0.48) DPP4DPP9DPP8HSD11B1PRKAA2
SCHEMBL21886888 0.84 GPR119 (0.58) GPR119
SCHEMBL21887079 0.84 GPR119 (0.58) GPR119
SCHEMBL21886886 0.84 GPR119 (0.58) GPR119
SCHEMBL7105199 0.81 MMP1 (0.47) HSD11B1GPR119LIPGHMOX1
SCHEMBL16973134 0.81 LIPG (0.43) HSD11B1GPR119LIPGHMOX1
SCHEMBL596069 0.81 LIPG (0.43) HSD11B1GPR119LIPGHMOX1
SCHEMBL596068 0.81 LIPG (0.43) HSD11B1GPR119LIPGHMOX1
SCHEMBL20137537 0.81 LIPE (0.45) HSD11B1LIPGHMOX1HRH3
SCHEMBL18077130 0.81 LIPE (0.45) HSD11B1LIPGHMOX1HRH3

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-3860992-A1 NOVEL OXADIAZOLES PI Industries Ltd. (IN) 2021-08-11 EP disclosed
WO-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 WO disclosed