SCHEMBL2825832

SCHEMBL2825832

NC(=O)OC(CC(=O)N1CCN(F)CC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
CACNA2D1 P54289 2/20 0.48
CACNA1B Q00975 2/20 0.48
CACNB1 Q02641 2/20 0.48
CACNA1C Q13936 2/20 0.48
CACNA1H O95180 1/20 0.48

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
SCHEMBL2825229 0.88 CACNA2D1 (0.50) POLBCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL12378355 0.87 ADRB1 (0.56)
SCHEMBL12378461 0.84 GFER (0.54) POLB
SCHEMBL2293188 0.84 KMT2A (0.55) POLB
SCHEMBL12378428 0.84 GFER (0.54) POLB
SCHEMBL2293971 0.84 GFER (0.54) POLB
SCHEMBL2294698 0.83 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL12378457 0.83 ADRB1 (0.54)
SCHEMBL12378468 0.83 ME2 (0.55)
SCHEMBL2288557 0.83 ME2 (0.55)

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