SCHEMBL455131

SCHEMBL455131

CCCCNC(=O)C(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
SCHEMBL455132 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
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