SCHEMBL455132

SCHEMBL455132

CCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRND Q07001 6/20 0.55
CHRNA1 P02708 2/20 0.55
CHRNG P07510 2/20 0.55
CHRNB1 P11230 2/20 0.55
GRIA1 P42261 8/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRM1 Q13255 1/20 0.52

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
SCHEMBL455131 1.00 CHRND (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL8964436 0.82 ALDH1A1 (0.49)
SCHEMBL10543878 0.82 GRIA1 (0.71) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL10543883 0.82 GRIA1 (0.71) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL453543 0.81 CA2 (0.60)
SCHEMBL453542 0.81 CA2 (0.60)
SCHEMBL11778440 0.80 CHRND (0.57) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL11796137 0.78 GRIA1 (0.75) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL12527096 0.76 CHRND (0.70) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL5506840 0.76 PKM (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO claimed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP disclosed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO disclosed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US disclosed