SCHEMBL8403268

SCHEMBL8403268

Cc1cc(NC2=NCCN2)c(C)c2c1OCO2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.56
ADRA1A P35348 8/20 0.56
ADRA2B P18089 7/20 0.56
ADRA2C P18825 7/20 0.56
ADRA1D P25100 7/20 0.56
ADRA1B P35368 7/20 0.56
HTR1D P28221 4/20 0.47
HTR1B P28222 3/20 0.47
HTR7 P34969 1/20 0.44
CFB P00751 2/20 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
SCHEMBL8403318 0.93 ADRA2A (0.65) ADRA2AADRA1AADRA2BADRA2CADRA1D
Fumaric Acid SCHEMBL8900447 0.89 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6976298 0.80 ADRA2A (0.82) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL5612323 0.72 ADRA2A (0.55) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8900457 0.72 ADRA2A (0.42) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8403302 0.70 ADRA2A (0.72) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8926989 0.70 ADRA2A (0.52) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6964869 0.70 ADRA2A (0.55) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL8692296 0.69 ADRA2A (0.54) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7207377 0.69 ADRA2A (0.48) ADRA2AADRA1AADRA2BADRA2CADRA1D

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