SCHEMBL8700889

SCHEMBL8700889

O=[N+]([O-])c1ccc2c(c1)CC(CCc1nnn[nH]1)C2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.44
ADRA2A P08913 7/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43

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
SCHEMBL8703698 0.88 PNMT (0.45) PNMTADRA2AADRA2BADRA2C
SCHEMBL8700156 0.78 IDO1 (0.44) PNMTADRA2A
SCHEMBL12355694 0.74 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL8699075 0.73
SCHEMBL2246074 0.70 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
SCHEMBL31683946 0.70 PNMT (0.64) PNMTADRA2AADRA2BADRA2C
SCHEMBL8667327 0.70 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL8500277 0.68 GRIA1 (0.47)
SCHEMBL8506553 0.68 GRIA1 (0.34)
SCHEMBL6669085 0.67 PNMT (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005651-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1998-02-12 WO disclosed