SCHEMBL3483116

SCHEMBL3483116

CCOc1ccccc1N1CCN(C(CCOC(N)=O)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
DRD2 P14416 2/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
GAA P10253 2/20 0.43
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
POLB P06746 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
SCHEMBL3482923 0.90 TP53 (0.50) MEN1KMT2AL3MBTL1NPSR1MAPT
SCHEMBL3482959 0.87 AOC3 (0.43) MAPT
SCHEMBL3482665 0.81 LMNA (0.50) MEN1KMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL3483021 0.81 MC4R (0.46) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL3482318 0.78 CYP2C9 (0.42) SLC6A2SLC6A4MAPTPOLB
SCHEMBL3482581 0.77 ME2 (0.46) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2116569 0.77 ADRB1 (0.53)
SCHEMBL3482900 0.77 KMT2A (0.52) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL3482997 0.73 POLB (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8594186 0.70 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2NPSR1

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-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed