SCHEMBL8719237

SCHEMBL8719237

CCCCCN(N=O)c1c([N+](=O)[O-])cc(C2CC(C)CCC2C(C)C)c(C2CC(C)CCC2C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
SERPINE1 P05121 2/20 0.32
VCAM1 P19320 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
SCHEMBL8427237 0.83 OPRM1 (0.36) OPRM1SERPINE1
SCHEMBL8371130 0.69 VCAM1 (0.39) VCAM1
SCHEMBL11524922 0.66 MAPT (0.41) VCAM1
SCHEMBL11522205 0.65 VCAM1 (0.36) VCAM1
SCHEMBL31577617 0.64 OPRM1 (0.53) OPRM1
SCHEMBL12130567 0.61 ALDH1A1 (0.44) VCAM1
SCHEMBL11822746 0.61 HTT (0.43) OPRM1SERPINE1
SCHEMBL31545197 0.61 OPRM1 (1.00) OPRM1
SCHEMBL31103513 0.61 OPRM1 (1.00) OPRM1
SCHEMBL13214086 0.61 OPRM1 (1.00) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847984-A1 A continuous process for the dinitration of aromatic substrates FINCHIMICA S.p.A. (IT) 1998-06-17 EP disclosed