SCHEMBL8559311

SCHEMBL8559311

NN1C(=O)C(=O)[N]c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.31
CES1 P23141 2/20 0.31
TTR P02766 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6013602 0.76 TTR (0.47) CES1TTRALDH1A1MEN1MAPT
SCHEMBL9034857 0.76 AADAT (0.36) TLR9CES1TTRALDH1A1
SCHEMBL2338193 0.73 ALDH1A1 (0.50) CES1ALDH1A1MEN1MAPTHPGD
SCHEMBL6013595 0.72 ALDH1A1 (0.46) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL2228228 0.71 OPRL1 (0.40)
SCHEMBL8555900 0.68 CA12 (0.50) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL29711265 0.66 CES1 (0.59) CES1TTRALDH1A1
SCHEMBL2259762 0.66 CES1 (0.59) CES1TTRALDH1A1
SCHEMBL2354261 0.63 TTR (0.41) TLR9CES1TTRALDH1A1MEN1
SCHEMBL7985252 0.62 TTR (0.53) CES1TTRALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP claimed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP claimed
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
WO-1996040141-A1 4,5-BRIDGED QUINOXALINEDIONES AND QUINOLONES AND THE USE THEREOF AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed