SCHEMBL3482672

SCHEMBL3482672

COc1ccc(N2CCN(C(CCOC(N)=O)c3ccccc3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
NPY1R P25929 1/20 0.50
HTT P42858 1/20 0.50
NPY2R P49146 1/20 0.50
ADRB1 P08588 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GFER P55789 1/20 0.45
ALDH1A1 P00352 3/20 0.42
MGLL Q99685 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
CCR3 P51677 1/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3482506 0.85 LMNA (0.49) MAPTADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3482657 0.85 ADRB1 (0.48) MAPTADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2116499 0.79 HTR2A (0.69) MAPTNPY1RHTTNPY2RADRB1
SCHEMBL3482937 0.77 KMT2A (0.50) MAPTHTTADRB1HTR2AHTR2B
SCHEMBL3482900 0.77 KMT2A (0.52) MAPTADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3483019 0.76 MAPT (0.53) MAPTHTTADRB1HTR2AHTR2B
SCHEMBL3482588 0.76 ADRB1 (0.49) MAPTHTTADRB1HTR2AHTR2B
SCHEMBL3482768 0.75 GFER (0.48) MAPTADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3482899 0.74 CCR3 (0.57) MAPTHTTADRB1HTR2AHTR2B
SCHEMBL3482997 0.71 POLB (0.54) MAPTHTTALDH1A1MGLLLMNA

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