SCHEMBL8716632

SCHEMBL8716632

Cc1ccc(NC(=O)OC(C)(C)C)c(N2CCN(C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BRPF1 P55201 1/20 0.42
WDR5 P61964 4/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL8716846 0.90 WDR5 (0.48) KMT2AMEN1MAPK1SMN1; SMN2LMNA
SCHEMBL8908801 0.84 MAPK1 (0.57) KMT2AMEN1MAPK1SMN1; SMN2LMNA
SCHEMBL23606834 0.81 WDR5 (0.41) KMT2AMEN1MAPK1SMN1; SMN2LMNA
SCHEMBL30044351 0.81 WDR5 (0.41) KMT2AMEN1MAPK1SMN1; SMN2LMNA
SCHEMBL22765710 0.80 NPC1 (0.46) KMT2AMEN1MAPK1SMN1; SMN2LMNA
SCHEMBL8716619 0.80 WDR5 (0.51) KMT2AMEN1SMN1; SMN2GAAL3MBTL1
SCHEMBL13832429 0.79 BRPF1 (0.45) KMT2AMEN1MAPK1SMN1; SMN2HTR1A
SCHEMBL12466602 0.79 MAPT (0.51) KMT2AMEN1MAPK1NPSR1GAA
SCHEMBL8711040 0.79 WDR5 (0.54) KMT2AMEN1GAAALDH1A1WDR5
SCHEMBL17857107 0.78 IRAK4 (0.51) KMT2AMAPK1TP53HTR1AHTR1D

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-1998031669-A1 NOVEL ARYLPIPERAZINE DERIVED FROM PIPERIDINE AS ANTIDEPRESSANT MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-07-23 WO disclosed