SCHEMBL7809408

SCHEMBL7809408

CS(=O)(=O)OCCC(CC(=O)Nc1ccccc1)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.43
FNTB P49356 10/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 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
SCHEMBL7809587 0.85 FNTA (0.53) FNTAFNTBMEN1KMT2AHDAC3
SCHEMBL8835963 0.79 FNTA (0.49) FNTAFNTBMEN1KMT2ALMNA
SCHEMBL8366219 0.76 TACR2 (0.45)
SCHEMBL9118989 0.71 MLYCD (0.38) LMNASMN1; SMN2
SCHEMBL14692727 0.68 F2 (0.45) ALDH1A1HPGD
SCHEMBL30805762 0.67 HDAC3 (0.64) FNTAFNTBMAPTHDAC3HDAC4
SCHEMBL29828250 0.67 HDAC3 (0.64) FNTAFNTBMAPTHDAC3HDAC4
SCHEMBL7807586 0.65 TACR1 (0.41) MEN1KMT2AGAAALDH1A1
SCHEMBL14646467 0.65 CES2 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL10769627 0.64 LMNA (0.59) MAPTKDM4EGAASLC1A3SLC1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed