SCHEMBL2825149

SCHEMBL2825149

CC(=O)C(O)(c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 8/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ MAPK1 P28482 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RECQL P46063 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL10857836 0.68 KMT2A (0.51) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL27831041 0.68 HTT (0.44) MAPTKMT2ALMNAHTTALDH1A1
SCHEMBL27602261 0.67 NPSR1 (0.58) MAPTKMT2AHTTMEN1ALDH1A1
SCHEMBL12611026 0.66 L3MBTL1 (0.70) MAPTKMT2ALMNAHTTTP53
SCHEMBL8331183 0.66 NPSR1 (0.60) KMT2AHTTMEN1ALDH1A1TDP1
SCHEMBL2956140 0.66 NPSR1 (0.60) KMT2AHTTMEN1ALDH1A1TDP1
SCHEMBL10728976 0.65 KMT2A (0.51) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL13395160 0.65 SIRT6 (0.78) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL4008749 0.65 NPSR1 (0.59) MAPTKMT2AHTTMEN1MAPK1
Acetic Acid SCHEMBL27721273 0.65 HSD17B10 (0.58) MAPTKMT2AMEN1ALDH1A1L3MBTL1

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-2155736-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-24 — — EP disclosed
WO-2008140198-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL 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
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