SCHEMBL25276830

SCHEMBL25276830

COc1ccncc1C1=CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.49
GPR119 Q8TDV5 5/20 0.46
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
DYRK1A Q13627 1/20 0.39
GRM1 Q13255 3/20 0.39
GRM5 P41594 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 1/20 0.38

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
SCHEMBL15595098 0.84 PDK4 (0.47) DGAT2GPR119CCNT1CDK9MAPK1
SCHEMBL15595015 0.82 GRM1 (0.55) DGAT2GPR119GRM1GRM5
SCHEMBL22441484 0.80 GRM1 (0.48) DGAT2GPR119MAPK1GRM1GRM5
SCHEMBL30861910 0.79 DGAT2 (0.50) DGAT2GPR119MAPK1DYRK1A
SCHEMBL19972495 0.79 DGAT2 (0.50) DGAT2GPR119MAPK1DYRK1A
SCHEMBL28369668 0.78 GPR119 (0.51) DGAT2GPR119MAPTMAPK1GRM1
SCHEMBL30269885 0.78 GPR119 (0.51) DGAT2GPR119MAPTMAPK1GRM1
SCHEMBL31358051 0.77 ESR2 (0.39) DGAT2CCNT1CDK9MAPTMAPK1
SCHEMBL30269977 0.77 GPR119 (0.49) DGAT2GPR119MAPTMAPK1GRM1
SCHEMBL25268663 0.75 GPR119 (0.47) DGAT2GPR119NR1H2

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
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed