SCHEMBL15570722

SCHEMBL15570722

CC(C)C(N)CO[N+](=O)OCC(N)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL15570720 0.81 ALDH1A1 (0.36) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28728503 0.79 ALDH1A1 (0.34) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL7861505 0.79 ALDH1A1 (0.34) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL8524602 0.79 ALDH1A1 (0.34) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15569997 0.79 ALDH1A1 (0.33) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL10538165 0.77 ALDH1A1 (0.32) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL324572 0.73 ALDH1A1 (0.39)
SCHEMBL15570794 0.70 SCN4A (0.35) SCN4A
SCHEMBL15570505 0.70
SCHEMBL21694740 0.69 SCN4A (0.41) SCN4ACYP1A2CYP3A4CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887927-B1 EXTENDED RELEASE COMPOSITIONS OF AN AMINO-C2-C6-ALKYL NITRATE CARDIOLYNX AG (CH) 2018-03-28 EP disclosed
US-20180036259-A1 NO DONORS FOR THE TREATMENT OF IMPAIRED TISSUE PERFUSION MIRANDAPHARMACEUTICALS AG (CH) 2018-02-08 US disclosed
US-20180008558-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2018-01-11 US disclosed
US-20170100350-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2017-04-13 US disclosed
WO-2016135262-A1 NO DONORS FOR THE TREATMENT OF IMPAIRED TISSUE PERFUSION CARDIOLYNX AG (CH) 2016-09-01 WO disclosed
WO-2016135263-A1 NO DONORS FOR THE TREATMENT OF STRESS-INDUCED PULMONARY HAEMORRHAGE IN ANIMALS SCHERHAG ARMIN (CH) 2016-09-01 WO disclosed
US-20150216992-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2015-08-06 US disclosed
EP-2887927-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE Cardiolynx AG (CH) 2015-07-01 EP disclosed
WO-2014029841-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2014-02-27 WO disclosed