SCHEMBL8403302

SCHEMBL8403302

Cc1c(NC2=NCCN2)ccc2c1OCC2

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.72
ADRA1A P35348 9/20 0.72
ADRA2C P18825 9/20 0.72
ADRA1D P25100 8/20 0.72
ADRA1B P35368 8/20 0.72
ADRA2B P18089 8/20 0.72
HTR7 P34969 1/20 0.48
HTR1D P28221 1/20 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
SCHEMBL6976298 0.77 ADRA2A (0.82) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL8403318 0.77 ADRA2A (0.65) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL7206662 0.77 ADRA2A (0.68) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL29426311 0.75 ADRA2A (1.00) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL8403268 0.70 ADRA2A (0.56) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL1741885 0.70 ADRA2A (0.77) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL29426313 0.70 ADRA2A (1.00) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL8403305 0.70 ADRA2A (0.35) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL7028091 0.69 ADRA2A (1.00) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL8403307 0.68 ADRA2A (0.34) ADRA2AADRA1AADRA2CADRA1DADRA1B

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-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