SCHEMBL3482657

SCHEMBL3482657

COc1ccc(N2CCN(C(CCOC(N)=O)c3ccccc3F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MAPT P10636 4/20 0.45
MC4R P32245 2/20 0.44
MAPK1 P28482 1/20 0.44
CCR3 P51677 1/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AOC3 Q16853 1/20 0.42

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 0.88 LMNA (0.49) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL3482672 0.85 MAPT (0.50) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL3482900 0.84 KMT2A (0.52) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL3482588 0.82 ADRB1 (0.49) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL3482937 0.80 KMT2A (0.50) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL3482899 0.79 CCR3 (0.57) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL3483019 0.78 MAPT (0.53) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL3482768 0.78 GFER (0.48) ADRB1HTR2AHTR2BSIGMAR1MAPT
SCHEMBL2115482 0.77 HTR2A (0.74) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3483021 0.75 MC4R (0.46) MAPTMC4RCCR3LMNAMEN1

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