SCHEMBL8427237

SCHEMBL8427237

CCC(CC)N(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 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
SERPINE1 P05121 5/20 0.33

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
SCHEMBL8719237 0.83 OPRM1 (0.43) OPRM1SERPINE1
SCHEMBL7524966 0.68 CYP1A2 (0.38)
SCHEMBL31413507 0.68 CYP1A2 (0.38)
SCHEMBL28589734 0.68 OPRM1 (0.45) OPRM1SERPINE1
SCHEMBL11523945 0.67 ALDH3A1 (0.32)
SCHEMBL31577617 0.66 OPRM1 (0.53) OPRM1
SCHEMBL11822746 0.63 HTT (0.43) OPRM1SERPINE1
SCHEMBL11524762 0.61 CYP1A2 (0.37)
SCHEMBL9177409 0.61 TRPM8 (0.54) OPRM1
SCHEMBL9614233 0.59 OPRM1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907062-A Continuous process for the dinitration of aromatic substrates FINCHIMICA S.P.A. (IT) 1999-05-25 US disclosed
EP-0847984-A1 A continuous process for the dinitration of aromatic substrates FINCHIMICA S.p.A. (IT) 1998-06-17 EP disclosed