SCHEMBL872771

SCHEMBL872771

CCOc1cc(C2NC=NC(c3ccccc3)=C2c2cccc(F)c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 19/20 0.56
TACR3 P29371 6/20 0.56

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
SCHEMBL873216 0.90 ADH5 (0.56) ADH5TACR3
SCHEMBL873521 0.88 ADH5 (0.56) ADH5TACR3
SCHEMBL872782 0.87 ADH5 (0.69) ADH5TACR3
SCHEMBL873513 0.86 ADH5 (0.57) ADH5TACR3
SCHEMBL1515827 0.84 ADH5 (0.55) ADH5TACR3
SCHEMBL877481 0.81 ADH5 (0.85) ADH5TACR3
SCHEMBL876804 0.79 ADH5 (0.85) ADH5TACR3
SCHEMBL877359 0.75 ADH5 (0.86) ADH5TACR3
SCHEMBL877336 0.73 ADH5 (0.90) ADH5TACR3
SCHEMBL878131 0.73 ADH5 (0.79) ADH5TACR3

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-2618666-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 Pharmaceuticals, Inc. (US) 2013-07-31 EP claimed
WO-2012039718-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-03-29 WO claimed
EP-2618666-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 Pharmaceuticals, Inc. (US) 2013-07-31 EP disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
WO-2012039718-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-03-29 WO disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed