SCHEMBL8667965

SCHEMBL8667965

CC(=O)N(C)C1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.49
ADRA2A P08913 7/20 0.49
ADRA2B P18089 3/20 0.49
ADRA2C P18825 3/20 0.49

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
SCHEMBL1640125 0.85 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL30561524 0.85 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL27744229 0.84 PNMT (0.48) PNMTADRA2AADRA2BADRA2C
SCHEMBL14878929 0.78 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL7764313 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL1950952 0.77 DRD2 (0.51) PNMTADRA2AADRA2BADRA2C
SCHEMBL1953206 0.77 DRD2 (0.59) PNMTADRA2AADRA2BADRA2C
SCHEMBL12004879 0.77 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL29507804 0.77 DRD2 (0.59) PNMTADRA2AADRA2BADRA2C
SCHEMBL29370265 0.76 PNMT (0.57) PNMTADRA2AADRA2BADRA2C

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-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed