SCHEMBL8403307

SCHEMBL8403307

Cc1c(NN2C=NCC2)ccc2c1OCC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
ADRA2B P18089 1/20 0.34
DAO P14920 1/20 0.32

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
SCHEMBL6976306 0.77 ADRA2A (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8403326 0.76 ADRA2A (0.33) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7206673 0.75 ADRA2A (0.34) ADRA2AADRA2CADRA1DADRA1AADRA1B
Fumaric Acid SCHEMBL8901722 0.74 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8403302 0.68 ADRA2A (0.72) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8403305 0.67 ADRA2A (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL12327553 0.64 PARP1 (0.39) DAO
SCHEMBL8403384 0.63 PARP1 (0.42) DAO
SCHEMBL8405478 0.62 PTGES (0.39) DAO
SCHEMBL23870232 0.62 PARP1 (0.37) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965595-A SIDE EFFECT REDUCTION; TREATING NASAL CONGESTION AND OTHER ALPHA-2 ADRENORECEPTOR MODULATED DISORDERS, WILL NOT CAUSE HYPERTENSION THE PROCTER & GAMBLE COMPANY (US) 1999-10-12 US disclosed
US-5914342-A 2-imidazolinylamino heterocyclic compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1999-06-22 US disclosed
US-5663189-A RESPIRATORY, EYES, GASTROINTESTINAL THE PROCTER & GAMBLE COMPANY (US) 1997-09-02 US disclosed